N-(4-methoxyphenyl)-5-methyl-2-{[(3-methylphenyl)methyl]sulfanyl}-7-[4-(propan-2-yl)phenyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
N-(4-methoxyphenyl)-5-methyl-2-{[(3-methylphenyl)methyl]sulfanyl}-7-[4-(propan-2-yl)phenyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
N-(4-methoxyphenyl)-5-methyl-2-{[(3-methylphenyl)methyl]sulfanyl}-7-[4-(propan-2-yl)phenyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | C202-2475 |
| Compound Name: | N-(4-methoxyphenyl)-5-methyl-2-{[(3-methylphenyl)methyl]sulfanyl}-7-[4-(propan-2-yl)phenyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide |
| Molecular Weight: | 539.7 |
| Molecular Formula: | C31 H33 N5 O2 S |
| Smiles: | CC(C)c1ccc(cc1)C1C(=C(C)Nc2nc(nn12)SCc1cccc(C)c1)C(Nc1ccc(cc1)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.5316 |
| logD: | 7.5309 |
| logSw: | -5.596 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.134 |
| InChI Key: | JXWCWTJFAWUTKN-NDEPHWFRSA-N |