9-(difluoromethyl)-7-methyl-2-[(2-methylphenoxy)methyl]pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Chemical Structure Depiction of
9-(difluoromethyl)-7-methyl-2-[(2-methylphenoxy)methyl]pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
9-(difluoromethyl)-7-methyl-2-[(2-methylphenoxy)methyl]pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | D643-0116 |
| Compound Name: | 9-(difluoromethyl)-7-methyl-2-[(2-methylphenoxy)methyl]pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 411.43 |
| Molecular Formula: | C20 H15 F2 N5 O S |
| Smiles: | Cc1ccccc1OCc1nc2c3c(c4c(C)cc(C(F)F)nc4s3)ncn2n1 |
| Stereo: | ACHIRAL |
| logP: | 4.5625 |
| logD: | 4.5612 |
| logSw: | -4.7416 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.797 |
| InChI Key: | CHBLEVJGJDQCOB-UHFFFAOYSA-N |