2-(benzylsulfanyl)-7-(3-ethoxy-4-hydroxyphenyl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
2-(benzylsulfanyl)-7-(3-ethoxy-4-hydroxyphenyl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
2-(benzylsulfanyl)-7-(3-ethoxy-4-hydroxyphenyl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | C202-2518 |
| Compound Name: | 2-(benzylsulfanyl)-7-(3-ethoxy-4-hydroxyphenyl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide |
| Molecular Weight: | 543.64 |
| Molecular Formula: | C29 H29 N5 O4 S |
| Smiles: | CCOc1cc(ccc1O)C1C(=C(C)Nc2nc(nn12)SCc1ccccc1)C(Nc1ccccc1OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0027 |
| logD: | 5.0013 |
| logSw: | -4.3036 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 89.282 |
| InChI Key: | ZJPMIZNANJGKGH-SANMLTNESA-N |