N-[(4-fluorophenyl)methyl]-2-({[4-(3-methylphenyl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-2-({[4-(3-methylphenyl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
N-[(4-fluorophenyl)methyl]-2-({[4-(3-methylphenyl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V029-7946 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-2-({[4-(3-methylphenyl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 553.61 |
| Molecular Formula: | C30 H24 F N5 O3 S |
| Salt: | not_available |
| Smiles: | Cc1cccc(c1)n1c(c2ccc(cc2)[N+]([O-])=O)nnc1SCc1ccccc1C(NCc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 6.838 |
| logD: | 6.8376 |
| logSw: | -5.6578 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.507 |
| InChI Key: | TYLWSOASHUDEDV-UHFFFAOYSA-N |