2-(benzylsulfanyl)-7-(4-bromophenyl)-5-methyl-N-(2-methylphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
2-(benzylsulfanyl)-7-(4-bromophenyl)-5-methyl-N-(2-methylphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
2-(benzylsulfanyl)-7-(4-bromophenyl)-5-methyl-N-(2-methylphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | G922-0748 |
| Compound Name: | 2-(benzylsulfanyl)-7-(4-bromophenyl)-5-methyl-N-(2-methylphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide |
| Molecular Weight: | 546.49 |
| Molecular Formula: | C27 H24 Br N5 O S |
| Smiles: | CC1=C(C(c2ccc(cc2)[Br])n2c(N1)nc(n2)SCc1ccccc1)C(Nc1ccccc1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.1138 |
| logD: | 6.1133 |
| logSw: | -5.4791 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.893 |
| InChI Key: | PXZMEXACINEUGR-DEOSSOPVSA-N |