3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-5-{[(4-fluoronaphthalen-1-yl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole
Chemical Structure Depiction of
3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-5-{[(4-fluoronaphthalen-1-yl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole
3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-5-{[(4-fluoronaphthalen-1-yl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | Y502-0863 |
| Compound Name: | 3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-5-{[(4-fluoronaphthalen-1-yl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole |
| Molecular Weight: | 522.44 |
| Molecular Formula: | C25 H21 Br F N5 S |
| Smiles: | Cc1c(c(C)n(Cc2nnc(n2c2ccccc2)SCc2ccc(c3ccccc23)F)n1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.372 |
| logD: | 5.372 |
| logSw: | -5.7752 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 39.971 |
| InChI Key: | AUJRGMDWNKPLJL-UHFFFAOYSA-N |