(3S,9bR)-2,2-dimethyl-5-oxo-N-(2-phenylethyl)-3,9b-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide

Formula:C21H22N2O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none (3S,9bR)-2,2-dimethyl-5-oxo-N-(2-phenylethyl)-3,9b-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide is a drug-like molecule.

MolName	(3S,9bR)-2,2-dimethyl-5-oxo-N-(2-phenylethyl)-3,9b-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
MolecularFormula	C21H22N2O2S
Smiles	CC(C)([C@@H]1C(NCCc2ccccc2)=O)S[C@H](c2c3cccc2)N1C3=O
InChI	InChI=1S/C21H22N2O2S/c1-21(2)17(18(24)22-13-12-14-8-4-3-5-9-14)23-19(25)15-10-6-7-11-16(15)20(23)26-21/h3-11,17,20H,12-13H2,1-2H3,(H,22,24)/t17-,20-/m1/s1
InChIK	PQQDAQMNWUZFLS-YLJYHZDGSA-N
TotalMolweight	366.484
Molweight	366.484
MonoisotopicMass	366.140198
CLogP	3.595
CLogS	-3.643
H Acceptors	4
H Donors	1
TotalSurfaceArea	268.22
Relative PSA	0.2184
PolarSurfaceArea	74.71
Druglikeness	6.6936
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.53846
Fragments	1
Non HAtoms	26
NonCHAtoms	5
Electronegative Atoms	5
StereoCenters	2
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	8
Symmetricatoms	3
Amides	2
StereoCon	this enantiomer

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1 - (3S,9bR)-2,2-dimethyl-5-oxo-N-(2-phenylethyl)-3,9b-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide | 2 - (3S,9bR)-2,2-dimethyl-5-oxo-N-(2-phenylethyl)-3,9b-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide

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