N-(4-methoxyphenyl)-4-({[4-(2-methylphenyl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Chemical Structure Depiction of
N-(4-methoxyphenyl)-4-({[4-(2-methylphenyl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
N-(4-methoxyphenyl)-4-({[4-(2-methylphenyl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V003-3541 |
| Compound Name: | N-(4-methoxyphenyl)-4-({[4-(2-methylphenyl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 551.62 |
| Molecular Formula: | C30 H25 N5 O4 S |
| Salt: | not_available |
| Smiles: | Cc1ccccc1n1c(c2ccc(cc2)[N+]([O-])=O)nnc1SCc1ccc(cc1)C(Nc1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 6.2102 |
| logD: | 6.21 |
| logSw: | -5.5011 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.428 |
| InChI Key: | NELIEFMWZKIGHB-UHFFFAOYSA-N |