N-(2-methoxyethyl)-4-({[4-(4-methylphenyl)-5-(2-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Chemical Structure Depiction of
N-(2-methoxyethyl)-4-({[4-(4-methylphenyl)-5-(2-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
N-(2-methoxyethyl)-4-({[4-(4-methylphenyl)-5-(2-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V024-8188 |
| Compound Name: | N-(2-methoxyethyl)-4-({[4-(4-methylphenyl)-5-(2-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 503.58 |
| Molecular Formula: | C26 H25 N5 O4 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)n1c(c2ccccc2[N+]([O-])=O)nnc1SCc1ccc(cc1)C(NCCOC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9029 |
| logD: | 3.9029 |
| logSw: | -4.0641 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.662 |
| InChI Key: | CAAAAQMNOGTSCM-UHFFFAOYSA-N |