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

Formula:C22H26N2O2S3 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-(1-adamantyl)-4-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]butanamide is a drug-like molecule.

MolName	N-(1-adamantyl)-4-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]butanamide
MolecularFormula	C22H26N2O2S3
Smiles	O=C(CCCN(C(/C(/S1)=C/c2cccs2)=O)C1=S)NC1(CC(C2)C3)CC3CC2C1
InChI	InChI=1S/C22H26N2O2S3/c25-19(23-22-11-14-7-15(12-22)9-16(8-14)13-22)4-1-5-24-20(26)18(29-21(24)27)10-17-3-2-6-28-17/h2-3,6,10,14-16H,1,4-5,7-9,11-13H2,(H,23,25)
InChIK	HXKIUMXBDMBWMG-UHFFFAOYSA-N
TotalMolweight	446.658
Molweight	446.658
MonoisotopicMass	446.115638
CLogP	3.3314
CLogS	-5.79
H Acceptors	4
H Donors	1
TotalSurfaceArea	319.12
Relative PSA	0.33511
PolarSurfaceArea	135.04
Druglikeness	5.2666
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.55172
Fragments	1
Non HAtoms	29
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	5
Small Rings	6
Aromatic Rings	1
Aromatic Atoms	5
Sp3Atoms	15
Symmetricatoms	6
Amides	2
StereoCon

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

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