N-(5-bromo-2-hydroxyphenyl)-2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(5-bromo-2-hydroxyphenyl)-2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]acetamide
N-(5-bromo-2-hydroxyphenyl)-2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | C226-4161 |
| Compound Name: | N-(5-bromo-2-hydroxyphenyl)-2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]acetamide |
| Molecular Weight: | 387.21 |
| Molecular Formula: | C12 H11 Br N4 O4 S |
| Smiles: | Cc1c(c([nH]n1)SCC(Nc1cc(ccc1O)[Br])=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.3772 |
| logD: | 2.3667 |
| logSw: | -2.6391 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 95.216 |
| InChI Key: | XUXODCFYPHRYDE-UHFFFAOYSA-N |