2-{3-[(3-chlorophenoxy)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-{3-[(3-chlorophenoxy)methyl]phenyl}-9-(difluoromethyl)-7-methylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
2-{3-[(3-chlorophenoxy)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: | Y501-0665 |
| Compound Name: | 2-{3-[(3-chlorophenoxy)methyl]phenyl}-9-(difluoromethyl)-7-methylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 507.95 |
| Molecular Formula: | C25 H16 Cl F2 N5 O S |
| Smiles: | Cc1cc(C(F)F)nc2c1c1c(c3nc(c4cccc(COc5cccc(c5)[Cl])c4)nn3cn1)s2 |
| Stereo: | ACHIRAL |
| logP: | 6.8299 |
| logD: | 6.8263 |
| logSw: | -6.6877 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 47.448 |
| InChI Key: | UNMMJTDWGIAQAU-UHFFFAOYSA-N |