N-(1-adamantyl)-4-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamide

Formula:C24H27N2O2ClS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-(1-adamantyl)-4-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamide is a drug-like molecule.

MolName	N-(1-adamantyl)-4-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamide
MolecularFormula	C24H27N2O2ClS2
Smiles	O=C(CCCN(C(/C(/S1)=C/c(cc2)ccc2Cl)=O)C1=S)NC1(CC(C2)C3)CC3CC2C1
InChI	InChI=1S/C24H27ClN2O2S2/c25-19-5-3-15(4-6-19)11-20-22(29)27(23(30)31-20)7-1-2-21(28)26-24-12-16-8-17(13-24)10-18(9-16)14-24/h3-6,11,16-18H,1-2,7-10,12-14H2,(H,26,28)
InChIK	ROJQEKAKWKLDLM-UHFFFAOYSA-N
TotalMolweight	475.075
Molweight	475.075
MonoisotopicMass	474.120245
CLogP	4.0708
CLogS	-6.516
H Acceptors	4
H Donors	1
TotalSurfaceArea	338.6
Relative PSA	0.2557
PolarSurfaceArea	106.8
Druglikeness	4.8539
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.58065
Fragments	1
Non HAtoms	31
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	5
Small Rings	6
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	15
Symmetricatoms	8
Amides	2
StereoCon

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

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