5-{(E)-[(3aR*,6aR*)-3-(4-methoxyphenyl)-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]amino}-5-oxopentanoic acid
Chemical Structure Depiction of
5-{(E)-[(3aR*,6aR*)-3-(4-methoxyphenyl)-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]amino}-5-oxopentanoic acid
5-{(E)-[(3aR*,6aR*)-3-(4-methoxyphenyl)-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]amino}-5-oxopentanoic acid
Compound characteristics
| Compound ID: | D128-0375 |
| Compound Name: | 5-{(E)-[(3aR*,6aR*)-3-(4-methoxyphenyl)-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]amino}-5-oxopentanoic acid |
| Molecular Weight: | 412.48 |
| Molecular Formula: | C17 H20 N2 O6 S2 |
| Smiles: | COc1ccc(cc1)N1\C(=N/C(CCCC(O)=O)=O)S[C@H]2CS(C[C@@H]12)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.3172 |
| logD: | -2.28 |
| logSw: | -1.853 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.616 |
| InChI Key: | PRWSMYRCUIFQAY-UHFFFAOYSA-N |