Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03678"
| Predicate | Value (sorted: none) |
|---|---|
| drugbank:description |
"
experimental
This compound belongs to the diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
Diphenylmethanes
Organic Compounds
Benzenoids
Benzene and Substituted Derivatives
Diphenylmethanes
Quinazolinamines
Amphetamines and Derivatives
Phenylpropylamines
Aminopyrimidines and Derivatives
Fluorobenzenes
Aryl Fluorides
Secondary Amines
Polyamines
Organofluorides
quinazolinamine
amphetamine or derivative
quinazoline
phenylpropylamine
aminopyrimidine
fluorobenzene
pyrimidine
aryl fluoride
aryl halide
polyamine
secondary amine
organohalogen
organofluoride
amine
organonitrogen compound
logP
5.24
ALOGPS
logS
-6
ALOGPS
Water Solubility
3.44e-04 g/l
ALOGPS
logP
5.71
ChemAxon
IUPAC Name
N-[(2S)-1,1-diphenylpropan-2-yl]-6,7-difluoroquinazolin-4-amine
ChemAxon
Traditional IUPAC Name
N-[(2S)-1,1-diphenylpropan-2-yl]-6,7-difluoroquinazolin-4-amine
ChemAxon
Molecular Weight
375.4139
ChemAxon
Monoisotopic Weight
375.154704033
ChemAxon
SMILES
C[C@H](NC1=NC=NC2=C1C=C(F)C(F)=C2)C(C1=CC=CC=C1)C1=CC=CC=C1
ChemAxon
Molecular Formula
C23H19F2N3
ChemAxon
InChI
InChI=1S/C23H19F2N3/c1-15(22(16-8-4-2-5-9-16)17-10-6-3-7-11-17)28-23-18-12-19(24)20(25)13-21(18)26-14-27-23/h2-15,22H,1H3,(H,26,27,28)/t15-/m0/s1
ChemAxon
InChIKey
InChIKey=WVGZKPGUHOZIJQ-HNNXBMFYSA-N
ChemAxon
Polar Surface Area (PSA)
37.81
ChemAxon
Refractivity
108.09
ChemAxon
Polarizability
37.5
ChemAxon
Rotatable Bond Count
5
ChemAxon
H Bond Acceptor Count
3
ChemAxon
H Bond Donor Count
1
ChemAxon
pKa (strongest acidic)
19.07
ChemAxon
pKa (strongest basic)
3.71
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
4
ChemAxon
Bioavailability
1
ChemAxon
PubChem Compound
5496989
PubChem Substance
46509157
PDB
UNN
"
|
| owl:sameAs | |
| rdfs:label |
"(6,7-Difluoro-Quinazolin-4-Yl)-(1-Methyl-2,2-Diphenyl-Ethyl)-Amine"
|
| rdf:type |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines2/drugbank_small.nt
The resource does not appear as an object