2-{[(2-chlorophenyl)methyl]sulfanyl}-7-(4-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
2-{[(2-chlorophenyl)methyl]sulfanyl}-7-(4-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
2-{[(2-chlorophenyl)methyl]sulfanyl}-7-(4-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Compound characteristics
Compound ID: | C118-0484 |
Compound Name: | 2-{[(2-chlorophenyl)methyl]sulfanyl}-7-(4-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide |
Molecular Weight: | 441.94 |
Molecular Formula: | C21 H20 Cl N5 O2 S |
Smiles: | [H]N([H])C(C1C(c2ccc(cc2)OC)n2c(NC=1C)nc(n2)SCc1ccccc1[Cl])=O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.999 |
logD: | 3.9974 |
logSw: | -4.4214 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 77.102 |
InChI Key: | UREGWSMHHZNRHR-SFHVURJKSA-N |