2-{[(4-chlorophenyl)methyl]sulfanyl}-N-(2,4-dimethylphenyl)-7-(4-ethylphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
2-{[(4-chlorophenyl)methyl]sulfanyl}-N-(2,4-dimethylphenyl)-7-(4-ethylphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
2-{[(4-chlorophenyl)methyl]sulfanyl}-N-(2,4-dimethylphenyl)-7-(4-ethylphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | G922-0932 |
| Compound Name: | 2-{[(4-chlorophenyl)methyl]sulfanyl}-N-(2,4-dimethylphenyl)-7-(4-ethylphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide |
| Molecular Weight: | 544.12 |
| Molecular Formula: | C30 H30 Cl N5 O S |
| Smiles: | CCc1ccc(cc1)C1C(=C(C)Nc2nc(nn12)SCc1ccc(cc1)[Cl])C(Nc1ccc(C)cc1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.4931 |
| logD: | 7.4924 |
| logSw: | -6.492 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.893 |
| InChI Key: | JWVLAYQFNPQHNX-MHZLTWQESA-N |