N-{rel-(2E,3aR,6aR)-3-[4-(diethylamino)phenyl]-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene}butanamide
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}butanamide
N-{rel-(2E,3aR,6aR)-3-[4-(diethylamino)phenyl]-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene}butanamide
Compound characteristics
| Compound ID: | D128-0039 |
| 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}butanamide |
| Molecular Weight: | 409.57 |
| Molecular Formula: | C19 H27 N3 O3 S2 |
| Smiles: | CCCC(/N=C1\N(c2ccc(cc2)N(CC)CC)[C@@H]2CS(C[C@@H]2S1)(=O)=O)=O |
| Stereo: | RELATIVE |
| logP: | 2.7231 |
| logD: | 2.6695 |
| logSw: | -2.9853 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.424 |
| InChI Key: | ZKPWKKPNZGBELO-UHFFFAOYSA-N |