1,5-dimethyl-4-({[3-(methylsulfanyl)-5-phenyl-4H-1,2,4-triazol-4-yl]imino}methyl)-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
1,5-dimethyl-4-({[3-(methylsulfanyl)-5-phenyl-4H-1,2,4-triazol-4-yl]imino}methyl)-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
1,5-dimethyl-4-({[3-(methylsulfanyl)-5-phenyl-4H-1,2,4-triazol-4-yl]imino}methyl)-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | Y508-1582 |
| Compound Name: | 1,5-dimethyl-4-({[3-(methylsulfanyl)-5-phenyl-4H-1,2,4-triazol-4-yl]imino}methyl)-2-phenyl-1,2-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 404.49 |
| Molecular Formula: | C21 H20 N6 O S |
| Smiles: | CC1=C(/C=N/n2c(c3ccccc3)nnc2SC)C(N(c2ccccc2)N1C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6966 |
| logD: | 2.6966 |
| logSw: | -2.8735 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.787 |
| InChI Key: | TVDBIZJCSKFUPC-UHFFFAOYSA-N |