N-(4-bromophenyl)-2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(4-bromophenyl)-2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]acetamide
N-(4-bromophenyl)-2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | C226-4176 |
| Compound Name: | N-(4-bromophenyl)-2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]acetamide |
| Molecular Weight: | 371.21 |
| Molecular Formula: | C12 H11 Br N4 O3 S |
| Smiles: | Cc1c(c([nH]n1)SCC(Nc1ccc(cc1)[Br])=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.0392 |
| logD: | 3.0286 |
| logSw: | -3.416 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.366 |
| InChI Key: | DFRXANFUMCOYSO-UHFFFAOYSA-N |