N-(3-{3-[2-(4-methoxyphenyl)ethoxy]-5-(4-methylphenyl)-1H-1,2,4-triazol-1-yl}phenyl)-3-nitrobenzamide
Chemical Structure Depiction of
N-(3-{3-[2-(4-methoxyphenyl)ethoxy]-5-(4-methylphenyl)-1H-1,2,4-triazol-1-yl}phenyl)-3-nitrobenzamide
N-(3-{3-[2-(4-methoxyphenyl)ethoxy]-5-(4-methylphenyl)-1H-1,2,4-triazol-1-yl}phenyl)-3-nitrobenzamide
Compound characteristics
| Compound ID: | V024-6485 |
| Compound Name: | N-(3-{3-[2-(4-methoxyphenyl)ethoxy]-5-(4-methylphenyl)-1H-1,2,4-triazol-1-yl}phenyl)-3-nitrobenzamide |
| Molecular Weight: | 549.59 |
| Molecular Formula: | C31 H27 N5 O5 |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)c1nc(nn1c1cccc(c1)NC(c1cccc(c1)[N+]([O-])=O)=O)OCCc1ccc(cc1)OC |
| Stereo: | ACHIRAL |
| logP: | 7.211 |
| logD: | 7.2107 |
| logSw: | -5.6699 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.853 |
| InChI Key: | DSMYEJGXEHTHFD-UHFFFAOYSA-N |