N-[(4-fluorophenyl)methyl]-2-({[4-(4-fluorophenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-2-({[4-(4-fluorophenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
N-[(4-fluorophenyl)methyl]-2-({[4-(4-fluorophenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V014-0156 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-2-({[4-(4-fluorophenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 450.51 |
| Molecular Formula: | C24 H20 F2 N4 O S |
| Salt: | not_available |
| Smiles: | Cc1nnc(n1c1ccc(cc1)F)SCc1ccccc1C(NCc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3248 |
| logD: | 4.3244 |
| logSw: | -4.3543 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.174 |
| InChI Key: | QXYCOFMEURVGOT-UHFFFAOYSA-N |