N-benzyl-4-[(5E)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-hydroxyethyl)butanamide

Formula:C23H23N2O3ClS2 Mutagenic:none Tumorigenic:high Reproductive Effective:none N-benzyl-4-[(5E)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-hydroxyethyl)butanamide is a drug-like molecule.

MolName	N-benzyl-4-[(5E)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-hydroxyethyl)butanamide
MolecularFormula	C23H23N2O3ClS2
Smiles	OCCN(Cc1ccccc1)C(CCCN(C(/C(/S1)=C\c(cccc2)c2Cl)=O)C1=S)=O
InChI	InChI=1S/C23H23ClN2O3S2/c24-19-10-5-4-9-18(19)15-20-22(29)26(23(30)31-20)12-6-11-21(28)25(13-14-27)16-17-7-2-1-3-8-17/h1-5,7-10,15,27H,6,11-14,16H2
InChIK	FVEDGQNAIDPTKO-UHFFFAOYSA-N
TotalMolweight	475.032
Molweight	475.032
MonoisotopicMass	474.08386
CLogP	3.1598
CLogS	-4.935
H Acceptors	5
H Donors	1
TotalSurfaceArea	354.86
Relative PSA	0.25861
PolarSurfaceArea	118.24
Druglikeness	4.0225
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.58065
Fragments	1
Non HAtoms	31
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	9
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	9
Symmetricatoms	2
Amides	2
StereoCon

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