N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzamide

Formula:C23H17N3O3S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzamide is not a drug-like molecule.

MolName	N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzamide
MolecularFormula	C23H17N3O3S2
Smiles	O=C(c1ccc(CSc2nc(cccc3)c3s2)cc1)N/N=C\c(cc1)cc2c1OCO2
InChI	InChI=1S/C23H17N3O3S2/c27-22(26-24-12-16-7-10-19-20(11-16)29-14-28-19)17-8-5-15(6-9-17)13-30-23-25-18-3-1-2-4-21(18)31-23/h1-12H,13-14H2,(H,26,27)
InChIK	NYFZWMZCZWDDCK-UHFFFAOYSA-N
TotalMolweight	447.538
Molweight	447.538
MonoisotopicMass	447.071132
CLogP	5.7763
CLogS	-7.697
H Acceptors	6
H Donors	1
TotalSurfaceArea	327.56
Relative PSA	0.32003
PolarSurfaceArea	126.35
Druglikeness	4.5396
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.64516
Fragments	1
Non HAtoms	31
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	5
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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