N-[(4-fluorophenyl)methyl]-2-({[4-(2-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-2-({[4-(2-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
N-[(4-fluorophenyl)methyl]-2-({[4-(2-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V029-6729 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-2-({[4-(2-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 509.6 |
| Molecular Formula: | C29 H24 F N5 O S |
| Salt: | not_available |
| Smiles: | Cc1ccccc1n1c(c2ccncc2)nnc1SCc1ccccc1C(NCc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5547 |
| logD: | 5.5543 |
| logSw: | -5.3258 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.253 |
| InChI Key: | YOWDPAABUCRLIC-UHFFFAOYSA-N |