N-{rel-(2E,3aR,6aR)-3-[4-(diethylamino)phenyl]-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene}-2-methylpropanamide
Chemical Structure Depiction of
N-{rel-(2E,3aR,6aR)-3-[4-(diethylamino)phenyl]-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene}-2-methylpropanamide
N-{rel-(2E,3aR,6aR)-3-[4-(diethylamino)phenyl]-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene}-2-methylpropanamide
Compound characteristics
| Compound ID: | D128-0042 |
| Compound Name: | N-{rel-(2E,3aR,6aR)-3-[4-(diethylamino)phenyl]-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene}-2-methylpropanamide |
| Molecular Weight: | 409.57 |
| Molecular Formula: | C19 H27 N3 O3 S2 |
| Smiles: | CCN(CC)c1ccc(cc1)N1\C(=N/C(C(C)C)=O)S[C@H]2CS(C[C@@H]12)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.4709 |
| logD: | 2.4174 |
| logSw: | -2.6283 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.638 |
| InChI Key: | XYELVXZVUQPNJA-UHFFFAOYSA-N |