2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide

Formula:C22H16N5O2ClS Mutagenic:low Tumorigenic:none Reproductive Effective:none 2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide is a drug-like molecule.

MolName	2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide
MolecularFormula	C22H16N5O2ClS
Smiles	O=C(CSC(N1c(cc2)ccc2Cl)=Nc(cccc2)c2C1=O)N/N=C\c1ncccc1
InChI	InChI=1S/C22H16ClN5O2S/c23-15-8-10-17(11-9-15)28-21(30)18-6-1-2-7-19(18)26-22(28)31-14-20(29)27-25-13-16-5-3-4-12-24-16/h1-13H,14H2,(H,27,29)
InChIK	LYSZAYHNJJUXIO-UHFFFAOYSA-N
TotalMolweight	449.921
Molweight	449.921
MonoisotopicMass	449.071322
CLogP	3.8696
CLogS	-6.09
H Acceptors	7
H Donors	1
TotalSurfaceArea	329.7
Relative PSA	0.28077
PolarSurfaceArea	112.32
Druglikeness	5.7508
Mutagenic	low
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.54839
Fragments	1
Non HAtoms	31
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
StereoCon

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