(E)-N-[[2-(1,3-benzothiazol-2-yl)-4-chlorophenyl]carbamothioyl]-3-phenylprop-2-enamide

Formula:C23H16N3OClS2 Mutagenic:none Tumorigenic:none Reproductive Effective:high (E)-N-[[2-(1,3-benzothiazol-2-yl)-4-chlorophenyl]carbamothioyl]-3-phenylprop-2-enamide is not a drug-like molecule.

MolName	(E)-N-[[2-(1,3-benzothiazol-2-yl)-4-chlorophenyl]carbamothioyl]-3-phenylprop-2-enamide
MolecularFormula	C23H16N3OClS2
Smiles	O=C(/C=C/c1ccccc1)NC(Nc(ccc(Cl)c1)c1-c1nc(cccc2)c2s1)=S
InChI	InChI=1S/C23H16ClN3OS2/c24-16-11-12-18(17(14-16)22-25-19-8-4-5-9-20(19)30-22)26-23(29)27-21(28)13-10-15-6-2-1-3-7-15/h1-14H,(H2,26,27,28,29)
InChIK	YDYBYAWKQWSGEH-UHFFFAOYSA-N
TotalMolweight	449.985
Molweight	449.985
MonoisotopicMass	449.042329
CLogP	5.7569
CLogS	-6.34
H Acceptors	4
H Donors	2
TotalSurfaceArea	337.38
Relative PSA	0.28244
PolarSurfaceArea	114.35
Druglikeness	0.84461
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.56667
Fragments	1
Non HAtoms	30
NonCHAtoms	7
Electronegative Atoms	7
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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