N-[(Z)-(3-bromophenyl)methylideneamino]-2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide

Formula:C23H16N4O2BrClS Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-(3-bromophenyl)methylideneamino]-2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide is not a drug-like molecule.

MolName	N-[(Z)-(3-bromophenyl)methylideneamino]-2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
MolecularFormula	C23H16N4O2BrClS
Smiles	O=C(CSC(N1c(cc2)ccc2Cl)=Nc(cccc2)c2C1=O)N/N=C\c1cccc(Br)c1
InChI	InChI=1S/C23H16BrClN4O2S/c24-16-5-3-4-15(12-16)13-26-28-21(30)14-32-23-27-20-7-2-1-6-19(20)22(31)29(23)18-10-8-17(25)9-11-18/h1-13H,14H2,(H,28,30)
InChIK	WDEFUQCNPONWGR-UHFFFAOYSA-N
TotalMolweight	527.829
Molweight	527.829
MonoisotopicMass	525.986584
CLogP	5.5417
CLogS	-7.695
H Acceptors	6
H Donors	1
TotalSurfaceArea	349.57
Relative PSA	0.23343
PolarSurfaceArea	99.43
Druglikeness	3.9608
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.53125
Fragments	1
Non HAtoms	32
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
StereoCon

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