9-(difluoromethyl)-7-methyl-2-(3,4,5-trimethoxyphenyl)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-(3,4,5-trimethoxyphenyl)pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
9-(difluoromethyl)-7-methyl-2-(3,4,5-trimethoxyphenyl)pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
Compound ID: | D643-0119 |
Compound Name: | 9-(difluoromethyl)-7-methyl-2-(3,4,5-trimethoxyphenyl)pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine |
Molecular Weight: | 457.46 |
Molecular Formula: | C21 H17 F2 N5 O3 S |
Smiles: | Cc1cc(C(F)F)nc2c1c1c(c3nc(c4cc(c(c(c4)OC)OC)OC)nn3cn1)s2 |
Stereo: | ACHIRAL |
logP: | 4.0394 |
logD: | 3.7426 |
logSw: | -4.4015 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 63.198 |
InChI Key: | OMHBRKYHZSOAQR-UHFFFAOYSA-N |