2-{[(4-chlorophenyl)methyl]sulfanyl}-N-(2-methoxyphenyl)-5-methyl-7-[4-(methylsulfanyl)phenyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
2-{[(4-chlorophenyl)methyl]sulfanyl}-N-(2-methoxyphenyl)-5-methyl-7-[4-(methylsulfanyl)phenyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
2-{[(4-chlorophenyl)methyl]sulfanyl}-N-(2-methoxyphenyl)-5-methyl-7-[4-(methylsulfanyl)phenyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Compound characteristics
Compound ID: | C202-2773 |
Compound Name: | 2-{[(4-chlorophenyl)methyl]sulfanyl}-N-(2-methoxyphenyl)-5-methyl-7-[4-(methylsulfanyl)phenyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide |
Molecular Weight: | 564.13 |
Molecular Formula: | C28 H26 Cl N5 O2 S2 |
Smiles: | CC1=C(C(c2ccc(cc2)SC)n2c(N1)nc(n2)SCc1ccc(cc1)[Cl])C(Nc1ccccc1OC)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 6.5522 |
logD: | 6.5516 |
logSw: | -6.4301 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 65.523 |
InChI Key: | RMGVASOGPPIUDQ-VWLOTQADSA-N |