N-{rel-(2E,3aR,6aR)-3-[(4-chlorophenyl)methyl]-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene}-2,2-dimethylpropanamide
Chemical Structure Depiction of
N-{rel-(2E,3aR,6aR)-3-[(4-chlorophenyl)methyl]-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene}-2,2-dimethylpropanamide
N-{rel-(2E,3aR,6aR)-3-[(4-chlorophenyl)methyl]-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene}-2,2-dimethylpropanamide
Compound characteristics
| Compound ID: | D128-0417 |
| Compound Name: | N-{rel-(2E,3aR,6aR)-3-[(4-chlorophenyl)methyl]-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene}-2,2-dimethylpropanamide |
| Molecular Weight: | 400.94 |
| Molecular Formula: | C17 H21 Cl N2 O3 S2 |
| Smiles: | CC(C)(C)C(/N=C1\N(Cc2ccc(cc2)[Cl])[C@@H]2CS(C[C@@H]2S1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.743 |
| logD: | 2.743 |
| logSw: | -3.3433 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 54.513 |
| InChI Key: | CLVYOOQNJPVULR-UHFFFAOYSA-N |