methyl 4-methyl-2-{5-[rel-(4R,6aS)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamido}-1,3-thiazole-5-carboxylate
Chemical Structure Depiction of
methyl 4-methyl-2-{5-[rel-(4R,6aS)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamido}-1,3-thiazole-5-carboxylate
methyl 4-methyl-2-{5-[rel-(4R,6aS)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamido}-1,3-thiazole-5-carboxylate
Compound characteristics
| Compound ID: | Y043-3032 |
| Compound Name: | methyl 4-methyl-2-{5-[rel-(4R,6aS)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamido}-1,3-thiazole-5-carboxylate |
| Molecular Weight: | 398.5 |
| Molecular Formula: | C16 H22 N4 O4 S2 |
| Smiles: | Cc1c(C(=O)OC)sc(NC(CCCC[C@H]2C3[C@H](CS2)NC(N3)=O)=O)n1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.7525 |
| logD: | 1.6761 |
| logSw: | -2.416 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 92.576 |
| InChI Key: | PSYMLJBEWIEZNA-WFCWDVHWSA-N |