2-{4-[(2-bromophenoxy)methyl]phenyl}-9-(difluoromethyl)-7-methylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Chemical Structure Depiction of
2-{4-[(2-bromophenoxy)methyl]phenyl}-9-(difluoromethyl)-7-methylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
2-{4-[(2-bromophenoxy)methyl]phenyl}-9-(difluoromethyl)-7-methylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | Y500-9615 |
| Compound Name: | 2-{4-[(2-bromophenoxy)methyl]phenyl}-9-(difluoromethyl)-7-methylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 552.4 |
| Molecular Formula: | C25 H16 Br F2 N5 O S |
| Smiles: | Cc1cc(C(F)F)nc2c1c1c(c3nc(c4ccc(COc5ccccc5[Br])cc4)nn3cn1)s2 |
| Stereo: | ACHIRAL |
| logP: | 6.5607 |
| logD: | 6.5571 |
| logSw: | -6.1553 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 47.535 |
| InChI Key: | PYTOMBLKZZQDTK-UHFFFAOYSA-N |