4-{(E)-[(3aR*,6aR*)-3-(3-chloro-4-fluorophenyl)-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-chloro-4-fluorophenyl)-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-chloro-4-fluorophenyl)-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]amino}-4-oxobutanoic acid
Compound characteristics
| Compound ID: | D128-0282 |
| Compound Name: | 4-{(E)-[(3aR*,6aR*)-3-(3-chloro-4-fluorophenyl)-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]amino}-4-oxobutanoic acid |
| Molecular Weight: | 420.86 |
| Molecular Formula: | C15 H14 Cl F N2 O5 S2 |
| Smiles: | C(CC(/N=C1\N(c2ccc(c(c2)[Cl])F)[C@@H]2CS(C[C@@H]2S1)(=O)=O)=O)C(O)=O |
| Stereo: | RELATIVE |
| logP: | 0.7917 |
| logD: | -2.1577 |
| logSw: | -2.4883 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.072 |
| InChI Key: | ISHJBMAYGMMJFR-UHFFFAOYSA-N |