4-{(E)-[(3aR*,6aR*)-3-(3,4-dimethylphenyl)-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]amino}-4-oxobutanoic acid
Chemical Structure Depiction of
4-{(E)-[(3aR*,6aR*)-3-(3,4-dimethylphenyl)-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]amino}-4-oxobutanoic acid
4-{(E)-[(3aR*,6aR*)-3-(3,4-dimethylphenyl)-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]amino}-4-oxobutanoic acid
Compound characteristics
| Compound ID: | D128-0133 |
| Compound Name: | 4-{(E)-[(3aR*,6aR*)-3-(3,4-dimethylphenyl)-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]amino}-4-oxobutanoic acid |
| Molecular Weight: | 396.48 |
| Molecular Formula: | C17 H20 N2 O5 S2 |
| Smiles: | Cc1ccc(cc1C)N1\C(=N/C(CCC(O)=O)=O)S[C@H]2CS(C[C@@H]12)(=O)=O |
| Stereo: | RELATIVE |
| logP: | 1.3294 |
| logD: | -1.62 |
| logSw: | -2.0149 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.072 |
| InChI Key: | LSLMRKMLBAVUBU-UHFFFAOYSA-N |