N-[(4-fluorophenyl)methyl]-2-({4-methyl-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-methyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-[(4-fluorophenyl)methyl]-2-({4-methyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | C592-3950 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-2-({4-methyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 373.45 |
| Molecular Formula: | C18 H20 F N5 O S |
| Smiles: | Cn1cccc1Cc1nnc(n1C)SCC(NCc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9733 |
| logD: | 1.9731 |
| logSw: | -2.3938 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.396 |
| InChI Key: | JWAQRFFHCRZNGB-UHFFFAOYSA-N |