7-(4-acetamidophenyl)-2-(benzylsulfanyl)-5-methyl-N-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
7-(4-acetamidophenyl)-2-(benzylsulfanyl)-5-methyl-N-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
7-(4-acetamidophenyl)-2-(benzylsulfanyl)-5-methyl-N-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | C202-2621 |
| Compound Name: | 7-(4-acetamidophenyl)-2-(benzylsulfanyl)-5-methyl-N-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide |
| Molecular Weight: | 510.62 |
| Molecular Formula: | C28 H26 N6 O2 S |
| Smiles: | CC1=C(C(c2ccc(cc2)NC(C)=O)n2c(N1)nc(n2)SCc1ccccc1)C(Nc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2963 |
| logD: | 4.2958 |
| logSw: | -4.2626 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.853 |
| InChI Key: | DMENWXKADDDGOW-VWLOTQADSA-N |