2-({4-methyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-phenylethyl)acetamide
Chemical Structure Depiction of
2-({4-methyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-phenylethyl)acetamide
2-({4-methyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-phenylethyl)acetamide
Compound characteristics
| Compound ID: | C592-3955 |
| Compound Name: | 2-({4-methyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-phenylethyl)acetamide |
| Molecular Weight: | 369.49 |
| Molecular Formula: | C19 H23 N5 O S |
| Smiles: | Cn1cccc1Cc1nnc(n1C)SCC(NCCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7189 |
| logD: | 1.7188 |
| logSw: | -2.1888 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.238 |
| InChI Key: | YGFDVOYBQBIQCJ-UHFFFAOYSA-N |