N-cyclohexyl-2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-cyclohexyl-2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-cyclohexyl-2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | C677-0057 |
| Compound Name: | N-cyclohexyl-2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 437.61 |
| Molecular Formula: | C24 H31 N5 O S |
| Smiles: | Cn1cccc1Cc1nnc(n1CCc1ccccc1)SCC(NC1CCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0869 |
| logD: | 4.0868 |
| logSw: | -4.1192 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.018 |
| InChI Key: | IKSFBJNKHSJYMI-UHFFFAOYSA-N |