7-(4-hydroxy-3-methoxyphenyl)-5-methyl-2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-N-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
7-(4-hydroxy-3-methoxyphenyl)-5-methyl-2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-N-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
7-(4-hydroxy-3-methoxyphenyl)-5-methyl-2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-N-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | G922-0417 |
| Compound Name: | 7-(4-hydroxy-3-methoxyphenyl)-5-methyl-2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-N-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide |
| Molecular Weight: | 541.63 |
| Molecular Formula: | C29 H27 N5 O4 S |
| Smiles: | CC1=C(C(c2ccc(c(c2)OC)O)n2c(N1)nc(n2)SCC(c1ccc(C)cc1)=O)C(Nc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.567 |
| logD: | 4.5645 |
| logSw: | -4.1816 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 96.016 |
| InChI Key: | APZMIRCIQQLJFX-SANMLTNESA-N |