4-({2-[5-hydroxy-3-(propylsulfanyl)-1,2,4-triazin-6-yl]anilino}methylidene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-({2-[5-hydroxy-3-(propylsulfanyl)-1,2,4-triazin-6-yl]anilino}methylidene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
4-({2-[5-hydroxy-3-(propylsulfanyl)-1,2,4-triazin-6-yl]anilino}methylidene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 4896-1425 |
| Compound Name: | 4-({2-[5-hydroxy-3-(propylsulfanyl)-1,2,4-triazin-6-yl]anilino}methylidene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 446.53 |
| Molecular Formula: | C23 H22 N6 O2 S |
| Smiles: | CCCSc1nc(c(c2ccccc2N/C=C2/C(C)=NN(C2=O)c2ccccc2)nn1)O |
| Stereo: | ACHIRAL |
| logP: | 3.3179 |
| logD: | 2.5764 |
| logSw: | -3.6058 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.37 |
| InChI Key: | YMBOGHSYUNKTCU-UHFFFAOYSA-N |