N-[(4-fluorophenyl)methyl]-2-({4-(4-fluorophenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-2-({4-(4-fluorophenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-[(4-fluorophenyl)methyl]-2-({4-(4-fluorophenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | C677-0282 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-2-({4-(4-fluorophenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 453.51 |
| Molecular Formula: | C23 H21 F2 N5 O S |
| Smiles: | Cn1cccc1Cc1nnc(n1c1ccc(cc1)F)SCC(NCc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.575 |
| logD: | 3.5749 |
| logSw: | -3.7821 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.058 |
| InChI Key: | KIUACJXNHUGBRS-UHFFFAOYSA-N |