7-(3-ethoxy-4-hydroxyphenyl)-2-{[(2-fluorophenyl)methyl]sulfanyl}-N-(2-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
7-(3-ethoxy-4-hydroxyphenyl)-2-{[(2-fluorophenyl)methyl]sulfanyl}-N-(2-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
7-(3-ethoxy-4-hydroxyphenyl)-2-{[(2-fluorophenyl)methyl]sulfanyl}-N-(2-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Compound characteristics
Compound ID: | C202-2521 |
Compound Name: | 7-(3-ethoxy-4-hydroxyphenyl)-2-{[(2-fluorophenyl)methyl]sulfanyl}-N-(2-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide |
Molecular Weight: | 561.64 |
Molecular Formula: | C29 H28 F N5 O4 S |
Smiles: | CCOc1cc(ccc1O)C1C(=C(C)Nc2nc(nn12)SCc1ccccc1F)C(Nc1ccccc1OC)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 5.5669 |
logD: | 5.5655 |
logSw: | -5.1587 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 89.282 |
InChI Key: | ADIABVZJYOAPMN-SANMLTNESA-N |