4-{(E)-[(3aR*,6aR*)-3-benzyl-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-benzyl-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]amino}-4-oxobutanoic acid
4-{(E)-[(3aR*,6aR*)-3-benzyl-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]amino}-4-oxobutanoic acid
Compound characteristics
| Compound ID: | D128-0097 |
| Compound Name: | 4-{(E)-[(3aR*,6aR*)-3-benzyl-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]amino}-4-oxobutanoic acid |
| Molecular Weight: | 382.46 |
| Molecular Formula: | C16 H18 N2 O5 S2 |
| Smiles: | C(CC(/N=C1\N(Cc2ccccc2)[C@@H]2CS(C[C@@H]2S1)(=O)=O)=O)C(O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.2075 |
| logD: | -2.7419 |
| logSw: | -1.8403 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.683 |
| InChI Key: | WJJKQCBCCKRZSX-UHFFFAOYSA-N |