N-(4-chlorophenyl)-5-methyl-2-{[(3-methylphenyl)methyl]sulfanyl}-7-(propan-2-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
N-(4-chlorophenyl)-5-methyl-2-{[(3-methylphenyl)methyl]sulfanyl}-7-(propan-2-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
N-(4-chlorophenyl)-5-methyl-2-{[(3-methylphenyl)methyl]sulfanyl}-7-(propan-2-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | C314-0266 |
| Compound Name: | N-(4-chlorophenyl)-5-methyl-2-{[(3-methylphenyl)methyl]sulfanyl}-7-(propan-2-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide |
| Molecular Weight: | 468.02 |
| Molecular Formula: | C24 H26 Cl N5 O S |
| Smiles: | CC(C)C1C(=C(C)Nc2nc(nn12)SCc1cccc(C)c1)C(Nc1ccc(cc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.2844 |
| logD: | 6.2834 |
| logSw: | -6.123 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.862 |
| InChI Key: | ZAGGDXIVGJMLQD-NRFANRHFSA-N |