N-{3-[5-(4-methoxyphenyl)-3-propoxy-1H-1,2,4-triazol-1-yl]phenyl}-3-nitrobenzamide
Chemical Structure Depiction of
N-{3-[5-(4-methoxyphenyl)-3-propoxy-1H-1,2,4-triazol-1-yl]phenyl}-3-nitrobenzamide
N-{3-[5-(4-methoxyphenyl)-3-propoxy-1H-1,2,4-triazol-1-yl]phenyl}-3-nitrobenzamide
Compound characteristics
| Compound ID: | V025-5295 |
| Compound Name: | N-{3-[5-(4-methoxyphenyl)-3-propoxy-1H-1,2,4-triazol-1-yl]phenyl}-3-nitrobenzamide |
| Molecular Weight: | 473.49 |
| Molecular Formula: | C25 H23 N5 O5 |
| Salt: | not_available |
| Smiles: | CCCOc1nc(c2ccc(cc2)OC)n(c2cccc(c2)NC(c2cccc(c2)[N+]([O-])=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.7918 |
| logD: | 5.7915 |
| logSw: | -5.5109 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.124 |
| InChI Key: | KRQIRAGAPNRLAC-UHFFFAOYSA-N |