7-(4-bromophenyl)-2-{[(2-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-(4-bromophenyl)-2-{[(2-fluorophenyl)methyl]sulfanyl}-N-(2-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
7-(4-bromophenyl)-2-{[(2-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: | C202-1484 |
Compound Name: | 7-(4-bromophenyl)-2-{[(2-fluorophenyl)methyl]sulfanyl}-N-(2-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide |
Molecular Weight: | 580.48 |
Molecular Formula: | C27 H23 Br F N5 O2 S |
Smiles: | CC1=C(C(c2ccc(cc2)[Br])n2c(N1)nc(n2)SCc1ccccc1F)C(Nc1ccccc1OC)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 6.6362 |
logD: | 6.6356 |
logSw: | -5.7754 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 65.523 |
InChI Key: | NEWBEGOWVBMRNH-DEOSSOPVSA-N |