9-(difluoromethyl)-2-{4-[(2,4-dimethylphenoxy)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-[(2,4-dimethylphenoxy)methyl]phenyl}-7-methylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
9-(difluoromethyl)-2-{4-[(2,4-dimethylphenoxy)methyl]phenyl}-7-methylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | Y501-0802 |
| Compound Name: | 9-(difluoromethyl)-2-{4-[(2,4-dimethylphenoxy)methyl]phenyl}-7-methylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 501.56 |
| Molecular Formula: | C27 H21 F2 N5 O S |
| Smiles: | Cc1ccc(c(C)c1)OCc1ccc(cc1)c1nc2c3c(c4c(C)cc(C(F)F)nc4s3)ncn2n1 |
| Stereo: | ACHIRAL |
| logP: | 7.096 |
| logD: | 7.0924 |
| logSw: | -6.1262 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 47.535 |
| InChI Key: | MAAFGWFBNLVRCQ-UHFFFAOYSA-N |