N-(4-fluorophenyl)-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-(4-fluorophenyl)-2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-(4-fluorophenyl)-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: | C677-0025 |
| Compound Name: | N-(4-fluorophenyl)-2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 449.55 |
| Molecular Formula: | C24 H24 F N5 O S |
| Smiles: | Cn1cccc1Cc1nnc(n1CCc1ccccc1)SCC(Nc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.22 |
| logD: | 4.2199 |
| logSw: | -4.2539 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.971 |
| InChI Key: | JCSDDECVMLJQTP-UHFFFAOYSA-N |