4-{(E)-[(3aR*,6aR*)-3-(4-methoxyphenyl)-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-(4-methoxyphenyl)-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]amino}-4-oxobutanoic acid
4-{(E)-[(3aR*,6aR*)-3-(4-methoxyphenyl)-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]amino}-4-oxobutanoic acid
Compound characteristics
| Compound ID: | D128-0150 |
| Compound Name: | 4-{(E)-[(3aR*,6aR*)-3-(4-methoxyphenyl)-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]amino}-4-oxobutanoic acid |
| Molecular Weight: | 398.45 |
| Molecular Formula: | C16 H18 N2 O6 S2 |
| Smiles: | COc1ccc(cc1)N1\C(=N/C(CCC(O)=O)=O)S[C@H]2CS(C[C@@H]12)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.1641 |
| logD: | -2.7853 |
| logSw: | -1.8545 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.616 |
| InChI Key: | YNYXOECITLAEJL-UHFFFAOYSA-N |