2-(4-{[rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]amino}phenyl)-N-(2-methylcyclohexyl)acetamide
Chemical Structure Depiction of
2-(4-{[rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]amino}phenyl)-N-(2-methylcyclohexyl)acetamide
2-(4-{[rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]amino}phenyl)-N-(2-methylcyclohexyl)acetamide
Compound characteristics
| Compound ID: | C685-0339 |
| Compound Name: | 2-(4-{[rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]amino}phenyl)-N-(2-methylcyclohexyl)acetamide |
| Molecular Weight: | 421.58 |
| Molecular Formula: | C20 H27 N3 O3 S2 |
| Smiles: | CC1CCCCC1NC(Cc1ccc(cc1)NC1=N[C@@H]2CS(C[C@@H]2S1)(=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.6469 |
| logD: | 2.6468 |
| logSw: | -3.3085 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.657 |
| InChI Key: | LQXFLFLVABJKMC-UHFFFAOYSA-N |