4-({[4-benzyl-5-(2-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(4-fluorophenyl)methyl]benzamide
Chemical Structure Depiction of
4-({[4-benzyl-5-(2-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(4-fluorophenyl)methyl]benzamide
4-({[4-benzyl-5-(2-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(4-fluorophenyl)methyl]benzamide
Compound characteristics
| Compound ID: | V024-7942 |
| Compound Name: | 4-({[4-benzyl-5-(2-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(4-fluorophenyl)methyl]benzamide |
| Molecular Weight: | 553.61 |
| Molecular Formula: | C30 H24 F N5 O3 S |
| Salt: | not_available |
| Smiles: | C(c1ccc(cc1)F)NC(c1ccc(CSc2nnc(c3ccccc3[N+]([O-])=O)n2Cc2ccccc2)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2217 |
| logD: | 5.2216 |
| logSw: | -5.4263 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.463 |
| InChI Key: | QDUDHAFDFWJSSV-UHFFFAOYSA-N |