7-(3,4-dimethoxyphenyl)-2-{[(3-fluorophenyl)methyl]sulfanyl}-N-(2-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
7-(3,4-dimethoxyphenyl)-2-{[(3-fluorophenyl)methyl]sulfanyl}-N-(2-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
7-(3,4-dimethoxyphenyl)-2-{[(3-fluorophenyl)methyl]sulfanyl}-N-(2-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Compound characteristics
Compound ID: | C202-2781 |
Compound Name: | 7-(3,4-dimethoxyphenyl)-2-{[(3-fluorophenyl)methyl]sulfanyl}-N-(2-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide |
Molecular Weight: | 561.64 |
Molecular Formula: | C29 H28 F N5 O4 S |
Smiles: | CC1=C(C(c2ccc(c(c2)OC)OC)n2c(N1)nc(n2)SCc1cccc(c1)F)C(Nc1ccccc1OC)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 5.3005 |
logD: | 5.2999 |
logSw: | -5.3371 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 80.784 |
InChI Key: | NXESJACXJAQXFY-SANMLTNESA-N |