2-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)-N-(4-methoxyphenyl)acetamide
Chemical Structure Depiction of
2-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)-N-(4-methoxyphenyl)acetamide
2-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)-N-(4-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | 8017-1618 |
| Compound Name: | 2-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)-N-(4-methoxyphenyl)acetamide |
| Molecular Weight: | 356.13 |
| Molecular Formula: | C11 H10 Br N5 O4 |
| Smiles: | COc1ccc(cc1)NC(Cn1c(nc(n1)[N+]([O-])=O)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 1.7179 |
| logD: | 1.7179 |
| logSw: | -2.3684 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.626 |
| InChI Key: | ZBQZRSUVZCAACA-UHFFFAOYSA-N |