N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide

Formula:C21H14N4O2BrClS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide is not a drug-like molecule.

MolName	N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
MolecularFormula	C21H14N4O2BrClS2
Smiles	O=C(CSC(N1c(cc2)ccc2Cl)=Nc(cccc2)c2C1=O)N/N=C\c(s1)ccc1Br
InChI	InChI=1S/C21H14BrClN4O2S2/c22-18-10-9-15(31-18)11-24-26-19(28)12-30-21-25-17-4-2-1-3-16(17)20(29)27(21)14-7-5-13(23)6-8-14/h1-11H,12H2,(H,26,28)
InChIK	JHYNNEZPKQOUMZ-UHFFFAOYSA-N
TotalMolweight	533.857
Molweight	533.857
MonoisotopicMass	531.943004
CLogP	5.613
CLogS	-7.722
H Acceptors	6
H Donors	1
TotalSurfaceArea	345.51
Relative PSA	0.2951
PolarSurfaceArea	127.67
Druglikeness	3.3212
Mutagenic	none
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	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	2
Amides	1
StereoCon

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