2-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)-N-(4-ethoxyphenyl)acetamide
Chemical Structure Depiction of
2-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)-N-(4-ethoxyphenyl)acetamide
2-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)-N-(4-ethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | 8017-1612 |
| Compound Name: | 2-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)-N-(4-ethoxyphenyl)acetamide |
| Molecular Weight: | 370.16 |
| Molecular Formula: | C12 H12 Br N5 O4 |
| Smiles: | CCOc1ccc(cc1)NC(Cn1c(nc(n1)[N+]([O-])=O)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 2.1045 |
| logD: | 2.1045 |
| logSw: | -2.8534 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.206 |
| InChI Key: | AONXVJXLEIAIBC-UHFFFAOYSA-N |