N-{rel-(2E,3aR,6aR)-3-[4-(diethylamino)phenyl]-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene}acetamide
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}acetamide
N-{rel-(2E,3aR,6aR)-3-[4-(diethylamino)phenyl]-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene}acetamide
Compound characteristics
| Compound ID: | D128-0037 |
| 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}acetamide |
| Molecular Weight: | 381.51 |
| Molecular Formula: | C17 H23 N3 O3 S2 |
| Smiles: | CCN(CC)c1ccc(cc1)N1\C(=N/C(C)=O)S[C@H]2CS(C[C@@H]12)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.5664 |
| logD: | 1.5128 |
| logSw: | -2.1748 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.537 |
| InChI Key: | MMWRZDCCINNHPR-UHFFFAOYSA-N |