N-(4-methoxyphenyl)-4-({[4-(4-methoxyphenyl)-5-(2-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Chemical Structure Depiction of
N-(4-methoxyphenyl)-4-({[4-(4-methoxyphenyl)-5-(2-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
N-(4-methoxyphenyl)-4-({[4-(4-methoxyphenyl)-5-(2-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V024-8119 |
| Compound Name: | N-(4-methoxyphenyl)-4-({[4-(4-methoxyphenyl)-5-(2-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 567.62 |
| Molecular Formula: | C30 H25 N5 O5 S |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1)NC(c1ccc(CSc2nnc(c3ccccc3[N+]([O-])=O)n2c2ccc(cc2)OC)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2855 |
| logD: | 5.2853 |
| logSw: | -5.2138 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.972 |
| InChI Key: | RRANDYNQSSSISE-UHFFFAOYSA-N |