2-{[(3-chlorophenyl)methyl]sulfanyl}-7-(3-ethoxy-4-hydroxyphenyl)-N-(4-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
2-{[(3-chlorophenyl)methyl]sulfanyl}-7-(3-ethoxy-4-hydroxyphenyl)-N-(4-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
2-{[(3-chlorophenyl)methyl]sulfanyl}-7-(3-ethoxy-4-hydroxyphenyl)-N-(4-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | C202-2477 |
| Compound Name: | 2-{[(3-chlorophenyl)methyl]sulfanyl}-7-(3-ethoxy-4-hydroxyphenyl)-N-(4-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide |
| Molecular Weight: | 578.09 |
| Molecular Formula: | C29 H28 Cl N5 O4 S |
| Smiles: | CCOc1cc(ccc1O)C1C(=C(C)Nc2nc(nn12)SCc1cccc(c1)[Cl])C(Nc1ccc(cc1)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9668 |
| logD: | 5.9653 |
| logSw: | -5.9491 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 89.893 |
| InChI Key: | ZFSXVJOTTCJWFD-SANMLTNESA-N |