4-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]butanamide

Formula:C24H20N3O2ClS3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]butanamide is not a drug-like molecule.

MolName	4-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]butanamide
MolecularFormula	C24H20N3O2ClS3
Smiles	O=C(CCCN(C(/C(/S1)=C/c2ccccc2)=O)C1=S)Nc1ncc(Cc(cccc2)c2Cl)s1
InChI	InChI=1S/C24H20ClN3O2S3/c25-19-10-5-4-9-17(19)14-18-15-26-23(32-18)27-21(29)11-6-12-28-22(30)20(33-24(28)31)13-16-7-2-1-3-8-16/h1-5,7-10,13,15H,6,11-12,14H2,(H,26,27,29)
InChIK	BPGVDIKPMUOXNF-UHFFFAOYSA-N
TotalMolweight	514.093
Molweight	514.093
MonoisotopicMass	513.040614
CLogP	5.2277
CLogS	-7.242
H Acceptors	5
H Donors	1
TotalSurfaceArea	376.61
Relative PSA	0.31308
PolarSurfaceArea	147.93
Druglikeness	4.3233
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	limit! thiazol-2-ylamine
Shape Index	0.63636
Fragments	1
Non HAtoms	33
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	6
Symmetricatoms	2
Amides	2
Aromatic Nitrogens	1
StereoCon

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1 - 4-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]butanamide | 2 - 4-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]butanamide

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