5-{(E)-[(3aR*,6aR*)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-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-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]amino}-5-oxopentanoic acid
5-{(E)-[(3aR*,6aR*)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]amino}-5-oxopentanoic acid
Compound characteristics
| Compound ID: | D128-0013 |
| Compound Name: | 5-{(E)-[(3aR*,6aR*)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]amino}-5-oxopentanoic acid |
| Molecular Weight: | 440.49 |
| Molecular Formula: | C18 H20 N2 O7 S2 |
| Smiles: | C(CC(O)=O)CC(/N=C1\N(c2ccc3c(c2)OCCO3)[C@@H]2CS(C[C@@H]2S1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.5547 |
| logD: | -3.1519 |
| logSw: | -1.7014 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.895 |
| InChI Key: | JYZYYGUCDGBFJQ-UHFFFAOYSA-N |