2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]acetamide

Formula:C27H21N3O2S2 Mutagenic:high Tumorigenic:high Reproductive Effective:none 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]acetamide is not a drug-like molecule.

MolName	2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]acetamide
MolecularFormula	C27H21N3O2S2
Smiles	O=C(CSc1nc(cccc2)c2s1)N/N=C/c(c1ccccc1cc1)c1OCc1ccccc1
InChI	InChI=1S/C27H21N3O2S2/c31-26(18-33-27-29-23-12-6-7-13-25(23)34-27)30-28-16-22-21-11-5-4-10-20(21)14-15-24(22)32-17-19-8-2-1-3-9-19/h1-16H,17-18H2,(H,30,31)
InChIK	XRWMIMBJWCJEMO-UHFFFAOYSA-N
TotalMolweight	483.615
Molweight	483.615
MonoisotopicMass	483.107517
CLogP	6.4588
CLogS	-8.046
H Acceptors	5
H Donors	1
TotalSurfaceArea	365.66
Relative PSA	0.25934
PolarSurfaceArea	117.12
Druglikeness	4.4451
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.55882
Fragments	1
Non HAtoms	34
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	8
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	25
Sp3Atoms	4
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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1 - 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]acetamide | 2 - 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]acetamide

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