N-{rel-(2E,3aR,6aR)-3-[4-(4-benzylpiperidin-1-yl)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-(4-benzylpiperidin-1-yl)phenyl]-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene}propanamide
N-{rel-(2E,3aR,6aR)-3-[4-(4-benzylpiperidin-1-yl)phenyl]-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene}propanamide
Compound characteristics
| Compound ID: | D128-0066 |
| Compound Name: | N-{rel-(2E,3aR,6aR)-3-[4-(4-benzylpiperidin-1-yl)phenyl]-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene}propanamide |
| Molecular Weight: | 497.68 |
| Molecular Formula: | C26 H31 N3 O3 S2 |
| Smiles: | CCC(/N=C1\N(c2ccc(cc2)N2CCC(CC2)Cc2ccccc2)[C@@H]2CS(C[C@@H]2S1)(=O)=O)=O |
| Stereo: | RELATIVE |
| logP: | 4.1593 |
| logD: | 4.156 |
| logSw: | -4.0887 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.869 |
| InChI Key: | RLGIUQRNVNCZEX-UHFFFAOYSA-N |