4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]benzamide

Formula:C24H18N4O3S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]benzamide is a drug-like molecule.

MolName	4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]benzamide
MolecularFormula	C24H18N4O3S2
Smiles	[O-][N+](c1c(/C=C/C=N\NC(c2ccc(CSc3nc(cccc4)c4s3)cc2)=O)cccc1)=O
InChI	InChI=1S/C24H18N4O3S2/c29-23(27-25-15-5-7-18-6-1-3-9-21(18)28(30)31)19-13-11-17(12-14-19)16-32-24-26-20-8-2-4-10-22(20)33-24/h1-15H,16H2,(H,27,29)
InChIK	GUEBBIGVFRFMEE-UHFFFAOYSA-N
TotalMolweight	474.564
Molweight	474.564
MonoisotopicMass	474.082031
CLogP	4.7616
CLogS	-7.738
H Acceptors	7
H Donors	1
TotalSurfaceArea	357.47
Relative PSA	0.3224
PolarSurfaceArea	153.71
Druglikeness	-0.3877
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.63636
Fragments	1
Non HAtoms	33
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	3
Symmetricatoms	2
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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