2-{[(4-chlorophenyl)methyl]sulfanyl}-7-(2,3-dimethoxyphenyl)-N-(4-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
2-{[(4-chlorophenyl)methyl]sulfanyl}-7-(2,3-dimethoxyphenyl)-N-(4-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
2-{[(4-chlorophenyl)methyl]sulfanyl}-7-(2,3-dimethoxyphenyl)-N-(4-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | G113-0065 |
| Compound Name: | 2-{[(4-chlorophenyl)methyl]sulfanyl}-7-(2,3-dimethoxyphenyl)-N-(4-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide |
| Molecular Weight: | 578.09 |
| Molecular Formula: | C29 H28 Cl N5 O4 S |
| Smiles: | CC1=C(C(c2cccc(c2OC)OC)n2c(N1)nc(n2)SCc1ccc(cc1)[Cl])C(Nc1ccc(cc1)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7306 |
| logD: | 5.73 |
| logSw: | -5.947 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.482 |
| InChI Key: | QHXRGEXNSJILNE-VWLOTQADSA-N |