7-(4-acetamidophenyl)-2-{[(4-chlorophenyl)methyl]sulfanyl}-N-(2,4-dimethylphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
7-(4-acetamidophenyl)-2-{[(4-chlorophenyl)methyl]sulfanyl}-N-(2,4-dimethylphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
7-(4-acetamidophenyl)-2-{[(4-chlorophenyl)methyl]sulfanyl}-N-(2,4-dimethylphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | C202-2542 |
| Compound Name: | 7-(4-acetamidophenyl)-2-{[(4-chlorophenyl)methyl]sulfanyl}-N-(2,4-dimethylphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide |
| Molecular Weight: | 573.12 |
| Molecular Formula: | C30 H29 Cl N6 O2 S |
| Smiles: | CC1=C(C(c2ccc(cc2)NC(C)=O)n2c(N1)nc(n2)SCc1ccc(cc1)[Cl])C(Nc1ccc(C)cc1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7636 |
| logD: | 5.763 |
| logSw: | -6.1346 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.155 |
| InChI Key: | BSHFHQJGIMSHOV-MHZLTWQESA-N |