4-({[4-benzyl-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Chemical Structure Depiction of
4-({[4-benzyl-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
4-({[4-benzyl-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V026-6260 |
| Compound Name: | 4-({[4-benzyl-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 445.5 |
| Molecular Formula: | C23 H19 N5 O3 S |
| Salt: | not_available |
| Smiles: | C(c1ccccc1)n1c(c2ccc(cc2)[N+]([O-])=O)nnc1SCc1ccc(cc1)C(N)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8895 |
| logD: | 3.8895 |
| logSw: | -4.2812 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.41 |
| InChI Key: | QGIGOWUYVFHQBA-UHFFFAOYSA-N |