2-[3-[(Z)-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]hydrazinylidene]methyl]indol-1-yl]acetamide

Formula:C20H17N5O2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[3-[(Z)-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]hydrazinylidene]methyl]indol-1-yl]acetamide is a drug-like molecule.

MolName	2-[3-[(Z)-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]hydrazinylidene]methyl]indol-1-yl]acetamide
MolecularFormula	C20H17N5O2S2
Smiles	NC(Cn1c(cccc2)c2c(/C=N\NC(CSc2nc(cccc3)c3s2)=O)c1)=O
InChI	InChI=1S/C20H17N5O2S2/c21-18(26)11-25-10-13(14-5-1-3-7-16(14)25)9-22-24-19(27)12-28-20-23-15-6-2-4-8-17(15)29-20/h1-10H,11-12H2,(H2,21,26)(H,24,27)
InChIK	QPDUBWOETJYVTP-UHFFFAOYSA-N
TotalMolweight	423.52
Molweight	423.52
MonoisotopicMass	423.082365
CLogP	2.6704
CLogS	-4.843
H Acceptors	7
H Donors	2
TotalSurfaceArea	311.37
Relative PSA	0.38543
PolarSurfaceArea	155.91
Druglikeness	7.3927
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.58621
Fragments	1
Non HAtoms	29
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	18
Sp3Atoms	3
Amides	1
Aromatic Nitrogens	2
StereoCon

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