5-[(E)-{(3aR*,6aR*)-3-[(4-chlorophenyl)methyl]-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-chlorophenyl)methyl]-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-chlorophenyl)methyl]-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene}amino]-5-oxopentanoic acid
Compound characteristics
| Compound ID: | D128-0374 |
| Compound Name: | 5-[(E)-{(3aR*,6aR*)-3-[(4-chlorophenyl)methyl]-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene}amino]-5-oxopentanoic acid |
| Molecular Weight: | 430.93 |
| Molecular Formula: | C17 H19 Cl N2 O5 S2 |
| Smiles: | C(CC(O)=O)CC(/N=C1\N(Cc2ccc(cc2)[Cl])[C@@H]2CS(C[C@@H]2S1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.9554 |
| logD: | -1.6418 |
| logSw: | -2.4264 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.683 |
| InChI Key: | IMIXBZXDLDWLCQ-UHFFFAOYSA-N |