5-[(E)-{(3aR*,6aR*)-3-[4-(diethylamino)phenyl]-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-(diethylamino)phenyl]-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-(diethylamino)phenyl]-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene}amino]-5-oxopentanoic acid
Compound characteristics
| Compound ID: | D128-0041 |
| Compound Name: | 5-[(E)-{(3aR*,6aR*)-3-[4-(diethylamino)phenyl]-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene}amino]-5-oxopentanoic acid |
| Molecular Weight: | 453.58 |
| Molecular Formula: | C20 H27 N3 O5 S2 |
| Smiles: | CCN(CC)c1ccc(cc1)N1\C(=N/C(CCCC(O)=O)=O)S[C@H]2CS(C[C@@H]12)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.1454 |
| logD: | -1.4518 |
| logSw: | -2.0676 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.808 |
| InChI Key: | IPVLSJAUJHLJEC-UHFFFAOYSA-N |