4-({2-[3-(heptylsulfanyl)-5-hydroxy-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-[3-(heptylsulfanyl)-5-hydroxy-1,2,4-triazin-6-yl]anilino}methylidene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
4-({2-[3-(heptylsulfanyl)-5-hydroxy-1,2,4-triazin-6-yl]anilino}methylidene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 4896-4613 |
| Compound Name: | 4-({2-[3-(heptylsulfanyl)-5-hydroxy-1,2,4-triazin-6-yl]anilino}methylidene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 502.64 |
| Molecular Formula: | C27 H30 N6 O2 S |
| Smiles: | CCCCCCCSc1nc(c(c2ccccc2N/C=C2/C(C)=NN(C2=O)c2ccccc2)nn1)O |
| Stereo: | ACHIRAL |
| logP: | 5.6746 |
| logD: | 4.933 |
| logSw: | -5.1587 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.37 |
| InChI Key: | JVNKMCUNTYPBIS-UHFFFAOYSA-N |