2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide

Formula:C23H17N4O3ClS Mutagenic:high Tumorigenic:none Reproductive Effective:none 2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide is a drug-like molecule.

MolName	2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide
MolecularFormula	C23H17N4O3ClS
Smiles	O=C(CSC(N1c(cc2)ccc2Cl)=Nc(cccc2)c2C1=O)N/N=C\C=C\c1ccco1
InChI	InChI=1S/C23H17ClN4O3S/c24-16-9-11-17(12-10-16)28-22(30)19-7-1-2-8-20(19)26-23(28)32-15-21(29)27-25-13-3-5-18-6-4-14-31-18/h1-14H,15H2,(H,27,29)
InChIK	XWNCFBNPKRXXLF-UHFFFAOYSA-N
TotalMolweight	464.932
Molweight	464.932
MonoisotopicMass	464.070988
CLogP	4.0235
CLogS	-6.835
H Acceptors	7
H Donors	1
TotalSurfaceArea	347.13
Relative PSA	0.27572
PolarSurfaceArea	112.57
Druglikeness	5.6711
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.5625
Fragments	1
Non HAtoms	32
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	2
Amides	1
StereoCon

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1 - 2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide | 2 - 2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide

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