5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-[2-(methylsulfanyl)phenyl]furan-2-carboxamide
Chemical Structure Depiction of
5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-[2-(methylsulfanyl)phenyl]furan-2-carboxamide
5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-[2-(methylsulfanyl)phenyl]furan-2-carboxamide
Compound characteristics
| Compound ID: | Y508-7599 |
| Compound Name: | 5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-[2-(methylsulfanyl)phenyl]furan-2-carboxamide |
| Molecular Weight: | 420.33 |
| Molecular Formula: | C18 H18 Br N3 O2 S |
| Smiles: | Cc1c(c(C)n(Cc2ccc(C(Nc3ccccc3SC)=O)o2)n1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.7013 |
| logD: | 3.7013 |
| logSw: | -4.0201 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.755 |
| InChI Key: | OPMUGBPSBNFAPZ-UHFFFAOYSA-N |