2-{[(2,4-dimethylphenyl)methyl]sulfanyl}-7-(4-hydroxy-3-methoxyphenyl)-N-(4-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
2-{[(2,4-dimethylphenyl)methyl]sulfanyl}-7-(4-hydroxy-3-methoxyphenyl)-N-(4-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
2-{[(2,4-dimethylphenyl)methyl]sulfanyl}-7-(4-hydroxy-3-methoxyphenyl)-N-(4-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | C202-2440 |
| Compound Name: | 2-{[(2,4-dimethylphenyl)methyl]sulfanyl}-7-(4-hydroxy-3-methoxyphenyl)-N-(4-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide |
| Molecular Weight: | 557.67 |
| Molecular Formula: | C30 H31 N5 O4 S |
| Smiles: | CC1=C(C(c2ccc(c(c2)OC)O)n2c(N1)nc(n2)SCc1ccc(C)cc1C)C(Nc1ccc(cc1)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8812 |
| logD: | 5.8786 |
| logSw: | -5.2412 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 90.313 |
| InChI Key: | PKKZUTAGUMRRHG-MHZLTWQESA-N |