4-[(E)-{(3aR*,6aR*)-3-[(4-chlorophenyl)methyl]-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-chlorophenyl)methyl]-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-chlorophenyl)methyl]-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene}amino]-4-oxobutanoic acid
Compound characteristics
| Compound ID: | D128-0362 |
| Compound Name: | 4-[(E)-{(3aR*,6aR*)-3-[(4-chlorophenyl)methyl]-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene}amino]-4-oxobutanoic acid |
| Molecular Weight: | 416.9 |
| Molecular Formula: | C16 H17 Cl N2 O5 S2 |
| Smiles: | C(CC(/N=C1\N(Cc2ccc(cc2)[Cl])[C@@H]2CS(C[C@@H]2S1)(=O)=O)=O)C(O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.8023 |
| logD: | -2.1472 |
| logSw: | -2.3507 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.683 |
| InChI Key: | BGFZWJUQGDMKOI-UHFFFAOYSA-N |