2-{[(4-chlorophenyl)methyl]sulfanyl}-7-(4-ethoxyphenyl)-N-(4-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
2-{[(4-chlorophenyl)methyl]sulfanyl}-7-(4-ethoxyphenyl)-N-(4-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
2-{[(4-chlorophenyl)methyl]sulfanyl}-7-(4-ethoxyphenyl)-N-(4-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | G113-0068 |
| Compound Name: | 2-{[(4-chlorophenyl)methyl]sulfanyl}-7-(4-ethoxyphenyl)-N-(4-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide |
| Molecular Weight: | 562.09 |
| Molecular Formula: | C29 H28 Cl N5 O3 S |
| Smiles: | CCOc1ccc(cc1)C1C(=C(C)Nc2nc(nn12)SCc1ccc(cc1)[Cl])C(Nc1ccc(cc1)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.2329 |
| logD: | 6.2323 |
| logSw: | -6.3652 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.258 |
| InChI Key: | HJYMMNOJZWOMJX-SANMLTNESA-N |