N-{rel-(2E,3aR,6aR)-3-[4-(diethylamino)phenyl]-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene}propanamide
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}propanamide
N-{rel-(2E,3aR,6aR)-3-[4-(diethylamino)phenyl]-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene}propanamide
Compound characteristics
| Compound ID: | D128-0038 |
| 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}propanamide |
| Molecular Weight: | 395.54 |
| Molecular Formula: | C18 H25 N3 O3 S2 |
| Smiles: | CCC(/N=C1\N(c2ccc(cc2)N(CC)CC)[C@@H]2CS(C[C@@H]2S1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.1213 |
| logD: | 2.0677 |
| logSw: | -2.5217 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.424 |
| InChI Key: | SYSXBCANWANNKZ-UHFFFAOYSA-N |