N-[(4-fluorophenyl)methyl]-2-({4-(2-methoxyethyl)-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-(2-methoxyethyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-[(4-fluorophenyl)methyl]-2-({4-(2-methoxyethyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | C592-4014 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-2-({4-(2-methoxyethyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 417.5 |
| Molecular Formula: | C20 H24 F N5 O2 S |
| Smiles: | Cn1cccc1Cc1nnc(n1CCOC)SCC(NCc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.161 |
| logD: | 2.161 |
| logSw: | -2.5199 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.907 |
| InChI Key: | CQWHJCWHDLMKEK-UHFFFAOYSA-N |