2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-phenylacetamide
Chemical Structure Depiction of
2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-phenylacetamide
2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-phenylacetamide
Compound characteristics
| Compound ID: | C677-0011 |
| Compound Name: | 2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-phenylacetamide |
| Molecular Weight: | 431.56 |
| Molecular Formula: | C24 H25 N5 O S |
| Smiles: | Cn1cccc1Cc1nnc(n1CCc1ccccc1)SCC(Nc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9992 |
| logD: | 3.9992 |
| logSw: | -4.1389 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.971 |
| InChI Key: | XPTPDGRBYAUQRL-UHFFFAOYSA-N |