3-(4-methylphenyl)-2-[4-(methylsulfanyl)phenyl]tetrahydro-1H,5H-pyrazolo[1,2-a][1,2,4]triazol-1-one
Chemical Structure Depiction of
3-(4-methylphenyl)-2-[4-(methylsulfanyl)phenyl]tetrahydro-1H,5H-pyrazolo[1,2-a][1,2,4]triazol-1-one
3-(4-methylphenyl)-2-[4-(methylsulfanyl)phenyl]tetrahydro-1H,5H-pyrazolo[1,2-a][1,2,4]triazol-1-one
Compound characteristics
| Compound ID: | C614-5946 |
| Compound Name: | 3-(4-methylphenyl)-2-[4-(methylsulfanyl)phenyl]tetrahydro-1H,5H-pyrazolo[1,2-a][1,2,4]triazol-1-one |
| Molecular Weight: | 339.46 |
| Molecular Formula: | C19 H21 N3 O S |
| Smiles: | Cc1ccc(cc1)C1N(C(N2CCCN12)=O)c1ccc(cc1)SC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3753 |
| logD: | 4.3753 |
| logSw: | -4.1505 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 23.24 |
| InChI Key: | XHDUFKILJYJDLL-SFHVURJKSA-N |