N-(4-methoxyphenyl)-5-methyl-7-(4-methylphenyl)-2-{[(3-methylphenyl)methyl]sulfanyl}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
N-(4-methoxyphenyl)-5-methyl-7-(4-methylphenyl)-2-{[(3-methylphenyl)methyl]sulfanyl}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
N-(4-methoxyphenyl)-5-methyl-7-(4-methylphenyl)-2-{[(3-methylphenyl)methyl]sulfanyl}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Compound characteristics
Compound ID: | C202-2442 |
Compound Name: | N-(4-methoxyphenyl)-5-methyl-7-(4-methylphenyl)-2-{[(3-methylphenyl)methyl]sulfanyl}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide |
Molecular Weight: | 511.65 |
Molecular Formula: | C29 H29 N5 O2 S |
Smiles: | CC1=C(C(c2ccc(C)cc2)n2c(N1)nc(n2)SCc1cccc(C)c1)C(Nc1ccc(cc1)OC)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 6.6167 |
logD: | 6.6161 |
logSw: | -5.5912 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 66.134 |
InChI Key: | ZCLIPASFMHBGHR-SANMLTNESA-N |