N-(3-{5-(3-methoxyphenyl)-3-[(propan-2-yl)oxy]-1H-1,2,4-triazol-1-yl}phenyl)-3-nitrobenzamide
Chemical Structure Depiction of
N-(3-{5-(3-methoxyphenyl)-3-[(propan-2-yl)oxy]-1H-1,2,4-triazol-1-yl}phenyl)-3-nitrobenzamide
N-(3-{5-(3-methoxyphenyl)-3-[(propan-2-yl)oxy]-1H-1,2,4-triazol-1-yl}phenyl)-3-nitrobenzamide
Compound characteristics
| Compound ID: | V012-8061 |
| Compound Name: | N-(3-{5-(3-methoxyphenyl)-3-[(propan-2-yl)oxy]-1H-1,2,4-triazol-1-yl}phenyl)-3-nitrobenzamide |
| Molecular Weight: | 473.49 |
| Molecular Formula: | C25 H23 N5 O5 |
| Salt: | not_available |
| Smiles: | CC(C)Oc1nc(c2cccc(c2)OC)n(c2cccc(c2)NC(c2cccc(c2)[N+]([O-])=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.7005 |
| logD: | 5.7002 |
| logSw: | -5.4991 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.509 |
| InChI Key: | KLYZNBAGWANTFK-UHFFFAOYSA-N |