ethyl N-[({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]glycinate
Chemical Structure Depiction of
ethyl N-[({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]glycinate
ethyl N-[({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]glycinate
Compound characteristics
| Compound ID: | C592-3025 |
| Compound Name: | ethyl N-[({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]glycinate |
| Molecular Weight: | 481.5 |
| Molecular Formula: | C21 H22 F3 N5 O3 S |
| Smiles: | CCOC(CNC(CSc1nnc(Cc2cccn2C)n1c1cccc(c1)C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1641 |
| logD: | 3.1639 |
| logSw: | -3.3978 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.488 |
| InChI Key: | PRCRADAEPDQVMR-UHFFFAOYSA-N |