2-(benzylsulfanyl)-7-(4-hydroxy-3,5-dimethoxyphenyl)-N-(4-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
2-(benzylsulfanyl)-7-(4-hydroxy-3,5-dimethoxyphenyl)-N-(4-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
2-(benzylsulfanyl)-7-(4-hydroxy-3,5-dimethoxyphenyl)-N-(4-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | C202-2689 |
| Compound Name: | 2-(benzylsulfanyl)-7-(4-hydroxy-3,5-dimethoxyphenyl)-N-(4-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide |
| Molecular Weight: | 559.64 |
| Molecular Formula: | C29 H29 N5 O5 S |
| Smiles: | CC1=C(C(c2cc(c(c(c2)OC)O)OC)n2c(N1)nc(n2)SCc1ccccc1)C(Nc1ccc(cc1)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3026 |
| logD: | 4.2973 |
| logSw: | -4.2688 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 96.874 |
| InChI Key: | POAHAPUFEWIRFS-VWLOTQADSA-N |