2-methyl-N-{rel-(2E,3aR,6aR)-3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene}propanamide
Chemical Structure Depiction of
2-methyl-N-{rel-(2E,3aR,6aR)-3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene}propanamide
2-methyl-N-{rel-(2E,3aR,6aR)-3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene}propanamide
Compound characteristics
| Compound ID: | D128-0223 |
| Compound Name: | 2-methyl-N-{rel-(2E,3aR,6aR)-3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene}propanamide |
| Molecular Weight: | 485.65 |
| Molecular Formula: | C23 H23 N3 O3 S3 |
| Smiles: | CC(C)C(/N=C1\N(c2ccc(cc2)c2nc3ccc(C)cc3s2)[C@@H]2CS(C[C@@H]2S1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.0733 |
| logD: | 4.0733 |
| logSw: | -4.1848 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.35 |
| InChI Key: | YLESYRQBPGFMOP-UHFFFAOYSA-N |