Free Chemical Databases
-
[Synonyms]
Maybridge3_004728
Oprea1_533460
NSC321519
RDR 01277
ZINC01041807
IDI1_016115
[Structure]
[ Properties Computed from Structure]
Molecular Weight 362.8306 [g/mol] Molecular Formula C17H15ClN2O3S XLogP 3.6 H-Bond Donor 0 H-Bond Acceptor 4 Rotatable Bond Count 4 Exact Mass 362.049191 MonoIsotopic Mass 362.049191 Topological Polar Surface Area 51.1 Heavy Atom Count 24 Formal Charge 0 Complexity 504 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 3-(4-chloro-2,5-dimethoxyphenyl)-2-methylsulfanylquinazolin-4-one
Canonical SMILES: COC1=CC(=C(C=C1N2C(=O)C3=CC=CC=C3N=C2SC)OC)Cl
InChI: InChI=1/C17H15ClN2O3S/c1-22-14-9-13(15(23-2)8-11(14)18)20-16(21)10-6-4-
5-7-12(10)19-17(20)24-3/h4-9H,1-3H3
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