3-methyl-N-[rel-(2Z,3aR,6aR)-3-(4-methylphenyl)-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]butanamide
Chemical Structure Depiction of
3-methyl-N-[rel-(2Z,3aR,6aR)-3-(4-methylphenyl)-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]butanamide
3-methyl-N-[rel-(2Z,3aR,6aR)-3-(4-methylphenyl)-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]butanamide
Compound characteristics
| Compound ID: | D128-0588 |
| Compound Name: | 3-methyl-N-[rel-(2Z,3aR,6aR)-3-(4-methylphenyl)-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]butanamide |
| Molecular Weight: | 366.5 |
| Molecular Formula: | C17 H22 N2 O3 S2 |
| Smiles: | CC(C)CC(/N=C1/N(c2ccc(C)cc2)[C@@H]2CS(C[C@@H]2S1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.5551 |
| logD: | 2.5551 |
| logSw: | -2.76 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 53.688 |
| InChI Key: | CCYOHRGMNPFLHY-UHFFFAOYSA-N |