N-(2,4-dimethylphenyl)-7-(4-hydroxyphenyl)-5-methyl-2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
N-(2,4-dimethylphenyl)-7-(4-hydroxyphenyl)-5-methyl-2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
N-(2,4-dimethylphenyl)-7-(4-hydroxyphenyl)-5-methyl-2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | G922-0446 |
| Compound Name: | N-(2,4-dimethylphenyl)-7-(4-hydroxyphenyl)-5-methyl-2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide |
| Molecular Weight: | 539.66 |
| Molecular Formula: | C30 H29 N5 O3 S |
| Smiles: | CC1=C(C(c2ccc(cc2)O)n2c(N1)nc(n2)SCC(c1ccc(C)cc1)=O)C(Nc1ccc(C)cc1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.574 |
| logD: | 5.5727 |
| logSw: | -5.1978 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 88.757 |
| InChI Key: | QHLCBICKGXCZGC-MHZLTWQESA-N |