N-benzyl-N-(2-hydroxyethyl)-4-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]butanamide

Formula:C21H22N2O3S3 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-benzyl-N-(2-hydroxyethyl)-4-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]butanamide is a drug-like molecule.

MolName	N-benzyl-N-(2-hydroxyethyl)-4-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]butanamide
MolecularFormula	C21H22N2O3S3
Smiles	OCCN(Cc1ccccc1)C(CCCN(C(/C(/S1)=C/c2cccs2)=O)C1=S)=O
InChI	InChI=1S/C21H22N2O3S3/c24-12-11-22(15-16-6-2-1-3-7-16)19(25)9-4-10-23-20(26)18(29-21(23)27)14-17-8-5-13-28-17/h1-3,5-8,13-14,24H,4,9-12,15H2
InChIK	MGEQLUVWIPVEHA-UHFFFAOYSA-N
TotalMolweight	446.615
Molweight	446.615
MonoisotopicMass	446.079253
CLogP	2.4204
CLogS	-4.209
H Acceptors	5
H Donors	1
TotalSurfaceArea	335.38
Relative PSA	0.33434
PolarSurfaceArea	146.48
Druglikeness	4.4542
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.58621
Fragments	1
Non HAtoms	29
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	9
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	9
Symmetricatoms	2
Amides	2
StereoCon

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