2-[({5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-3-(2-methoxyphenyl)quinazolin-4(3H)-one
Chemical Structure Depiction of
2-[({5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-3-(2-methoxyphenyl)quinazolin-4(3H)-one
2-[({5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-3-(2-methoxyphenyl)quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | Y502-0864 |
| Compound Name: | 2-[({5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-3-(2-methoxyphenyl)quinazolin-4(3H)-one |
| Molecular Weight: | 628.55 |
| Molecular Formula: | C30 H26 Br N7 O2 S |
| Smiles: | Cc1c(c(C)n(Cc2nnc(n2c2ccccc2)SCC2=Nc3ccccc3C(N2c2ccccc2OC)=O)n1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.5304 |
| logD: | 3.5051 |
| logSw: | -3.9239 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 72.199 |
| InChI Key: | FOJRVBRMLYKXCF-UHFFFAOYSA-N |