2-{[(3-chlorophenyl)methyl]sulfanyl}-N-(2,4-dimethylphenyl)-5-methyl-7-(thiophen-2-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
2-{[(3-chlorophenyl)methyl]sulfanyl}-N-(2,4-dimethylphenyl)-5-methyl-7-(thiophen-2-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
2-{[(3-chlorophenyl)methyl]sulfanyl}-N-(2,4-dimethylphenyl)-5-methyl-7-(thiophen-2-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | C314-0188 |
| Compound Name: | 2-{[(3-chlorophenyl)methyl]sulfanyl}-N-(2,4-dimethylphenyl)-5-methyl-7-(thiophen-2-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide |
| Molecular Weight: | 522.09 |
| Molecular Formula: | C26 H24 Cl N5 O S2 |
| Smiles: | CC1=C(C(c2cccs2)n2c(N1)nc(n2)SCc1cccc(c1)[Cl])C(Nc1ccc(C)cc1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.5249 |
| logD: | 6.5241 |
| logSw: | -6.1833 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.911 |
| InChI Key: | DAWCMWXFJYBGAG-QHCPKHFHSA-N |