N-benzyl-4-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]-N-phenylbutanamide

Formula:C25H22N2O2S3 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-benzyl-4-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]-N-phenylbutanamide is a drug-like molecule.

MolName	N-benzyl-4-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]-N-phenylbutanamide
MolecularFormula	C25H22N2O2S3
Smiles	O=C(CCCN(C(/C(/S1)=C\c2cccs2)=O)C1=S)N(Cc1ccccc1)c1ccccc1
InChI	InChI=1S/C25H22N2O2S3/c28-23(27(20-11-5-2-6-12-20)18-19-9-3-1-4-10-19)14-7-15-26-24(29)22(32-25(26)30)17-21-13-8-16-31-21/h1-6,8-13,16-17H,7,14-15,18H2
InChIK	YQLDUKGSFDDZFT-UHFFFAOYSA-N
TotalMolweight	478.66
Molweight	478.66
MonoisotopicMass	478.084338
CLogP	4.6324
CLogS	-6.261
H Acceptors	4
TotalSurfaceArea	361.27
Relative PSA	0.27412
PolarSurfaceArea	126.25
Druglikeness	3.8461
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.53125
Fragments	1
Non HAtoms	32
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	6
Symmetricatoms	4
Amides	2
StereoCon

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