N-(4-methoxyphenyl)-4-({[4-(2-methoxyphenyl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Chemical Structure Depiction of
N-(4-methoxyphenyl)-4-({[4-(2-methoxyphenyl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
N-(4-methoxyphenyl)-4-({[4-(2-methoxyphenyl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V024-7965 |
| Compound Name: | N-(4-methoxyphenyl)-4-({[4-(2-methoxyphenyl)-5-(4-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(c3ccc(cc3)[N+]([O-])=O)n2c2ccccc2OC)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.628 |
| logD: | 5.6278 |
| logSw: | -5.4237 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.059 |
| InChI Key: | MGWWMDVXSXKGOU-UHFFFAOYSA-N |