2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]acetamide

Formula:C25H18N4O2Cl2S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]acetamide is not a drug-like molecule.

MolName	2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]acetamide
MolecularFormula	C25H18N4O2Cl2S
Smiles	O=C(CSC(N1c(cc2)ccc2Cl)=Nc(cccc2)c2C1=O)N/N=C\C(\Cl)=C\c1ccccc1
InChI	InChI=1S/C25H18Cl2N4O2S/c26-18-10-12-20(13-11-18)31-24(33)21-8-4-5-9-22(21)29-25(31)34-16-23(32)30-28-15-19(27)14-17-6-2-1-3-7-17/h1-15H,16H2,(H,30,32)
InChIK	FXZMMYOPCHHELQ-UHFFFAOYSA-N
TotalMolweight	509.416
Molweight	509.416
MonoisotopicMass	508.05275
CLogP	5.2964
CLogS	-7.844
H Acceptors	6
H Donors	1
TotalSurfaceArea	371.07
Relative PSA	0.2199
PolarSurfaceArea	99.43
Druglikeness	5.9907
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.55882
Fragments	1
Non HAtoms	34
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	4
Amides	1
StereoCon

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1 - 2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]acetamide | 2 - 2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]acetamide

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