7-(4-hydroxy-3,5-dimethoxyphenyl)-N-(4-methoxyphenyl)-5-methyl-2-{[(2-methylphenyl)methyl]sulfanyl}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
7-(4-hydroxy-3,5-dimethoxyphenyl)-N-(4-methoxyphenyl)-5-methyl-2-{[(2-methylphenyl)methyl]sulfanyl}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
7-(4-hydroxy-3,5-dimethoxyphenyl)-N-(4-methoxyphenyl)-5-methyl-2-{[(2-methylphenyl)methyl]sulfanyl}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | C202-2237 |
| Compound Name: | 7-(4-hydroxy-3,5-dimethoxyphenyl)-N-(4-methoxyphenyl)-5-methyl-2-{[(2-methylphenyl)methyl]sulfanyl}-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)O)OC)n2c(N1)nc(n2)SCc1ccccc1C)C(Nc1ccc(cc1)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3803 |
| logD: | 5.375 |
| logSw: | -5.234 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 96.874 |
| InChI Key: | FFYSUQIFEVVIAR-SANMLTNESA-N |