2-{[(4-chlorophenyl)methyl]sulfanyl}-5-methyl-N-(2-methylphenyl)-7-[4-(propan-2-yl)phenyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
2-{[(4-chlorophenyl)methyl]sulfanyl}-5-methyl-N-(2-methylphenyl)-7-[4-(propan-2-yl)phenyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
2-{[(4-chlorophenyl)methyl]sulfanyl}-5-methyl-N-(2-methylphenyl)-7-[4-(propan-2-yl)phenyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | G922-0952 |
| Compound Name: | 2-{[(4-chlorophenyl)methyl]sulfanyl}-5-methyl-N-(2-methylphenyl)-7-[4-(propan-2-yl)phenyl]-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: | CC(C)c1ccc(cc1)C1C(=C(C)Nc2nc(nn12)SCc1ccc(cc1)[Cl])C(Nc1ccccc1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.2128 |
| logD: | 7.2123 |
| logSw: | -6.4812 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.893 |
| InChI Key: | DMYFTDSYRLQCLG-MHZLTWQESA-N |