2-{[4-bromo-3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]methyl}-7,9-dimethylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Chemical Structure Depiction of
2-{[4-bromo-3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]methyl}-7,9-dimethylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
2-{[4-bromo-3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]methyl}-7,9-dimethylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | Y503-4768 |
| Compound Name: | 2-{[4-bromo-3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]methyl}-7,9-dimethylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 478.32 |
| Molecular Formula: | C18 H14 Br F2 N7 S |
| Smiles: | Cc1cc(C)nc2c1c1c(c3nc(Cn4c(C)c(c(C(F)F)n4)[Br])nn3cn1)s2 |
| Stereo: | ACHIRAL |
| logP: | 3.5222 |
| logD: | 3.3766 |
| logSw: | -3.9039 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 55.764 |
| InChI Key: | XFEIKIJFJNCPKQ-UHFFFAOYSA-N |