2-[(Z)-[[2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]hydrazinylidene]methyl]benzoic acid

Formula:C24H17N4O4ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(Z)-[[2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]hydrazinylidene]methyl]benzoic acid is a drug-like molecule.

MolName	2-[(Z)-[[2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]hydrazinylidene]methyl]benzoic acid
MolecularFormula	C24H17N4O4ClS
Smiles	OC(c1c(/C=N\NC(CSC(N2c(cc3)ccc3Cl)=Nc(cccc3)c3C2=O)=O)cccc1)=O
InChI	InChI=1S/C24H17ClN4O4S/c25-16-9-11-17(12-10-16)29-22(31)19-7-3-4-8-20(19)27-24(29)34-14-21(30)28-26-13-15-5-1-2-6-18(15)23(32)33/h1-13H,14H2,(H,28,30)(H,32,33)
InChIK	ANPQYDFLYXSZRV-UHFFFAOYSA-N
TotalMolweight	492.942
Molweight	492.942
MonoisotopicMass	492.065903
CLogP	4.3016
CLogS	-6.874
H Acceptors	8
H Donors	2
TotalSurfaceArea	355.04
Relative PSA	0.30346
PolarSurfaceArea	136.73
Druglikeness	5.5733
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.5
Fragments	1
Non HAtoms	34
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	3
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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1 - 2-[(Z)-[[2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]hydrazinylidene]methyl]benzoic acid | 2 - 2-[(Z)-[[2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]hydrazinylidene]methyl]benzoic acid

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