9-(difluoromethyl)-7-methyl-2-{[4-(propan-2-yl)phenoxy]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-{[4-(propan-2-yl)phenoxy]methyl}pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
9-(difluoromethyl)-7-methyl-2-{[4-(propan-2-yl)phenoxy]methyl}pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
Compound ID: | D643-0111 |
Compound Name: | 9-(difluoromethyl)-7-methyl-2-{[4-(propan-2-yl)phenoxy]methyl}pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine |
Molecular Weight: | 439.49 |
Molecular Formula: | C22 H19 F2 N5 O S |
Smiles: | CC(C)c1ccc(cc1)OCc1nc2c3c(c4c(C)cc(C(F)F)nc4s3)ncn2n1 |
Stereo: | ACHIRAL |
logP: | 5.426 |
logD: | 5.4247 |
logSw: | -5.7176 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 48.71 |
InChI Key: | WPZYQUXPDVOQIB-UHFFFAOYSA-N |