2-(benzylsulfanyl)-N-(2,4-dimethylphenyl)-7-(4-hydroxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
2-(benzylsulfanyl)-N-(2,4-dimethylphenyl)-7-(4-hydroxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
2-(benzylsulfanyl)-N-(2,4-dimethylphenyl)-7-(4-hydroxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | G922-0718 |
| Compound Name: | 2-(benzylsulfanyl)-N-(2,4-dimethylphenyl)-7-(4-hydroxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide |
| Molecular Weight: | 497.62 |
| Molecular Formula: | C28 H27 N5 O2 S |
| Smiles: | CC1=C(C(c2ccc(cc2)O)n2c(N1)nc(n2)SCc1ccccc1)C(Nc1ccc(C)cc1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3479 |
| logD: | 5.3466 |
| logSw: | -5.15 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 75.51 |
| InChI Key: | YTDNOTDYMURSFX-VWLOTQADSA-N |