2-{[(2-chlorophenyl)methyl]sulfanyl}-7-(3,4-dimethoxyphenyl)-5-methyl-N-(pyridin-3-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
2-{[(2-chlorophenyl)methyl]sulfanyl}-7-(3,4-dimethoxyphenyl)-5-methyl-N-(pyridin-3-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
2-{[(2-chlorophenyl)methyl]sulfanyl}-7-(3,4-dimethoxyphenyl)-5-methyl-N-(pyridin-3-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | C118-0489 |
| Compound Name: | 2-{[(2-chlorophenyl)methyl]sulfanyl}-7-(3,4-dimethoxyphenyl)-5-methyl-N-(pyridin-3-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide |
| Molecular Weight: | 549.05 |
| Molecular Formula: | C27 H25 Cl N6 O3 S |
| Smiles: | CC1=C(C(c2ccc(c(c2)OC)OC)n2c(N1)nc(n2)SCc1ccccc1[Cl])C(Nc1cccnc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8092 |
| logD: | 4.8087 |
| logSw: | -5.0902 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.369 |
| InChI Key: | IHHIPRCGZKTJFO-DEOSSOPVSA-N |