5-methyl-2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-N,7-diphenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
5-methyl-2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-N,7-diphenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
5-methyl-2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-N,7-diphenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | G922-0396 |
| Compound Name: | 5-methyl-2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-N,7-diphenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide |
| Molecular Weight: | 495.6 |
| Molecular Formula: | C28 H25 N5 O2 S |
| Smiles: | CC1=C(C(c2ccccc2)n2c(N1)nc(n2)SCC(c1ccc(C)cc1)=O)C(Nc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3255 |
| logD: | 5.325 |
| logSw: | -5.3439 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.838 |
| InChI Key: | MMGDLGUHPYTQKH-VWLOTQADSA-N |