methyl N-{5-[rel-(3aR,4R)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}glycinate
Chemical Structure Depiction of
methyl N-{5-[rel-(3aR,4R)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}glycinate
methyl N-{5-[rel-(3aR,4R)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}glycinate
Compound characteristics
| Compound ID: | Y043-1776 |
| Compound Name: | methyl N-{5-[rel-(3aR,4R)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}glycinate |
| Molecular Weight: | 315.39 |
| Molecular Formula: | C13 H21 N3 O4 S |
| Smiles: | COC(CNC(CCCC[C@H]1[C@@H]2C(CS1)NC(N2)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.0504 |
| logD: | 0.0504 |
| logSw: | -1.344 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 82.952 |
| InChI Key: | KZDUFSRXXIPTOY-IBMSWFNTSA-N |