(E)-N-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-3-phenylprop-2-enamide

Formula:C23H17N3OS2 Mutagenic:none Tumorigenic:none Reproductive Effective:high (E)-N-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-3-phenylprop-2-enamide is not a drug-like molecule.

MolName	(E)-N-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-3-phenylprop-2-enamide
MolecularFormula	C23H17N3OS2
Smiles	O=C(/C=C/c1ccccc1)NC(Nc1cc(-c2nc(cccc3)c3s2)ccc1)=S
InChI	InChI=1S/C23H17N3OS2/c27-21(14-13-16-7-2-1-3-8-16)26-23(28)24-18-10-6-9-17(15-18)22-25-19-11-4-5-12-20(19)29-22/h1-15H,(H2,24,26,27,28)
InChIK	KKMXKWXCMDVETL-UHFFFAOYSA-N
TotalMolweight	415.54
Molweight	415.54
MonoisotopicMass	415.081302
CLogP	5.1509
CLogS	-5.604
H Acceptors	4
H Donors	2
TotalSurfaceArea	321.96
Relative PSA	0.29597
PolarSurfaceArea	114.35
Druglikeness	0.77177
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.62069
Fragments	1
Non HAtoms	29
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	1
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
StereoCon

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