ethyl N-[({4-methyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]glycinate
Chemical Structure Depiction of
ethyl N-[({4-methyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]glycinate
ethyl N-[({4-methyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]glycinate
Compound characteristics
| Compound ID: | C592-3948 |
| Compound Name: | ethyl N-[({4-methyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]glycinate |
| Molecular Weight: | 351.43 |
| Molecular Formula: | C15 H21 N5 O3 S |
| Smiles: | CCOC(CNC(CSc1nnc(Cc2cccn2C)n1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7656 |
| logD: | 0.7654 |
| logSw: | -2.1462 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.826 |
| InChI Key: | MBNUUXNBJXTMJG-UHFFFAOYSA-N |