2-[(4-chloro-2-methylphenoxy)methyl]-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-chloro-2-methylphenoxy)methyl]-9-(difluoromethyl)-7-methylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
2-[(4-chloro-2-methylphenoxy)methyl]-9-(difluoromethyl)-7-methylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | D643-0118 |
| Compound Name: | 2-[(4-chloro-2-methylphenoxy)methyl]-9-(difluoromethyl)-7-methylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 445.88 |
| Molecular Formula: | C20 H14 Cl F2 N5 O S |
| Smiles: | Cc1cc(ccc1OCc1nc2c3c(c4c(C)cc(C(F)F)nc4s3)ncn2n1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.5905 |
| logD: | 5.5892 |
| logSw: | -6.0719 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.797 |
| InChI Key: | YFLAJTDZJFCZAC-UHFFFAOYSA-N |