2-(benzylsulfanyl)-N-(2-methoxyphenyl)-5-methyl-7-(3,4,5-trimethoxyphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
2-(benzylsulfanyl)-N-(2-methoxyphenyl)-5-methyl-7-(3,4,5-trimethoxyphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
2-(benzylsulfanyl)-N-(2-methoxyphenyl)-5-methyl-7-(3,4,5-trimethoxyphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Compound characteristics
Compound ID: | C202-2777 |
Compound Name: | 2-(benzylsulfanyl)-N-(2-methoxyphenyl)-5-methyl-7-(3,4,5-trimethoxyphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide |
Molecular Weight: | 573.67 |
Molecular Formula: | C30 H31 N5 O5 S |
Smiles: | CC1=C(C(c2cc(c(c(c2)OC)OC)OC)n2c(N1)nc(n2)SCc1ccccc1)C(Nc1ccccc1OC)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.9681 |
logD: | 4.9675 |
logSw: | -4.6931 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 88.501 |
InChI Key: | WHSIJYAPROLPKK-SANMLTNESA-N |