N-[(4-methoxyphenyl)methyl]-2-[3-(3-nitrophenyl)-1H-1,2,4-triazol-5-yl]acetamide
Chemical Structure Depiction of
N-[(4-methoxyphenyl)methyl]-2-[3-(3-nitrophenyl)-1H-1,2,4-triazol-5-yl]acetamide
N-[(4-methoxyphenyl)methyl]-2-[3-(3-nitrophenyl)-1H-1,2,4-triazol-5-yl]acetamide
Compound characteristics
| Compound ID: | 8020-0607 |
| Compound Name: | N-[(4-methoxyphenyl)methyl]-2-[3-(3-nitrophenyl)-1H-1,2,4-triazol-5-yl]acetamide |
| Molecular Weight: | 367.36 |
| Molecular Formula: | C18 H17 N5 O4 |
| Smiles: | COc1ccc(CNC(Cc2nc(c3cccc(c3)[N+]([O-])=O)n[nH]2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.7564 |
| logD: | 2.7395 |
| logSw: | -3.3081 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.139 |
| InChI Key: | KFMMXQCXZNKQBS-UHFFFAOYSA-N |