2-(10,10-dimethyl-2,6,8-trioxo-3,4a,5,5a,6,8,8a,9,9a,10-decahydro-5,9-methano[1,3]thiazolo[5',4':5,6]thiopyrano[2,3-f]isoindol-7(2H)-yl)-N-(3-methylphenyl)acetamide
Chemical Structure Depiction of
2-(10,10-dimethyl-2,6,8-trioxo-3,4a,5,5a,6,8,8a,9,9a,10-decahydro-5,9-methano[1,3]thiazolo[5',4':5,6]thiopyrano[2,3-f]isoindol-7(2H)-yl)-N-(3-methylphenyl)acetamide
2-(10,10-dimethyl-2,6,8-trioxo-3,4a,5,5a,6,8,8a,9,9a,10-decahydro-5,9-methano[1,3]thiazolo[5',4':5,6]thiopyrano[2,3-f]isoindol-7(2H)-yl)-N-(3-methylphenyl)acetamide
Compound characteristics
| Compound ID: | D426-0913 |
| Compound Name: | 2-(10,10-dimethyl-2,6,8-trioxo-3,4a,5,5a,6,8,8a,9,9a,10-decahydro-5,9-methano[1,3]thiazolo[5',4':5,6]thiopyrano[2,3-f]isoindol-7(2H)-yl)-N-(3-methylphenyl)acetamide |
| Molecular Weight: | 483.61 |
| Molecular Formula: | C24 H25 N3 O4 S2 |
| Smiles: | Cc1cccc(c1)NC(CN1C(C2C3CC(C2C1=O)C1C3[C@](C)(C)C2=C(NC(=O)S2)S1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.3089 |
| logD: | 3.3088 |
| logSw: | -3.5208 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.469 |
| InChI Key: | BDISPWOVMPBCEX-UHFFFAOYSA-N |