4-({[4-benzyl-5-(2-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(2-methoxyethyl)benzamide
Chemical Structure Depiction of
4-({[4-benzyl-5-(2-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(2-methoxyethyl)benzamide
4-({[4-benzyl-5-(2-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(2-methoxyethyl)benzamide
Compound characteristics
| Compound ID: | V026-7232 |
| Compound Name: | 4-({[4-benzyl-5-(2-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(2-methoxyethyl)benzamide |
| Molecular Weight: | 503.58 |
| Molecular Formula: | C26 H25 N5 O4 S |
| Salt: | not_available |
| Smiles: | COCCNC(c1ccc(CSc2nnc(c3ccccc3[N+]([O-])=O)n2Cc2ccccc2)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6854 |
| logD: | 3.6854 |
| logSw: | -4.037 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.919 |
| InChI Key: | HMERRBPLKFWFBR-UHFFFAOYSA-N |