N-[(4-fluorophenyl)methyl]-2-({[5-methyl-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-2-({[5-methyl-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
N-[(4-fluorophenyl)methyl]-2-({[5-methyl-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V029-8218 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-2-({[5-methyl-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 446.55 |
| Molecular Formula: | C25 H23 F N4 O S |
| Salt: | not_available |
| Smiles: | Cc1cccc(c1)n1c(C)nnc1SCc1ccccc1C(NCc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7634 |
| logD: | 4.763 |
| logSw: | -4.5549 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.174 |
| InChI Key: | MCVAGHQYQBMTDJ-UHFFFAOYSA-N |