9-(difluoromethyl)-2-{4-[(4-ethoxyphenoxy)methyl]phenyl}-7-methylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Chemical Structure Depiction of
9-(difluoromethyl)-2-{4-[(4-ethoxyphenoxy)methyl]phenyl}-7-methylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
9-(difluoromethyl)-2-{4-[(4-ethoxyphenoxy)methyl]phenyl}-7-methylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | Y501-0801 |
| Compound Name: | 9-(difluoromethyl)-2-{4-[(4-ethoxyphenoxy)methyl]phenyl}-7-methylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 517.56 |
| Molecular Formula: | C27 H21 F2 N5 O2 S |
| Smiles: | CCOc1ccc(cc1)OCc1ccc(cc1)c1nc2c3c(c4c(C)cc(C(F)F)nc4s3)ncn2n1 |
| Stereo: | ACHIRAL |
| logP: | 6.3403 |
| logD: | 6.3367 |
| logSw: | -5.9808 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 54.572 |
| InChI Key: | LMKPBXCCAUMLHA-UHFFFAOYSA-N |