4-({2-[5-hydroxy-3-(pentylsulfanyl)-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-(pentylsulfanyl)-1,2,4-triazin-6-yl]anilino}methylidene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
4-({2-[5-hydroxy-3-(pentylsulfanyl)-1,2,4-triazin-6-yl]anilino}methylidene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 4896-3891 |
| Compound Name: | 4-({2-[5-hydroxy-3-(pentylsulfanyl)-1,2,4-triazin-6-yl]anilino}methylidene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 474.58 |
| Molecular Formula: | C25 H26 N6 O2 S |
| Smiles: | CCCCCSc1nc(c(c2ccccc2N/C=C2\C(C)=NN(C2=O)c2ccccc2)nn1)O |
| Stereo: | ACHIRAL |
| logP: | 4.6828 |
| logD: | 3.9412 |
| logSw: | -4.3793 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.37 |
| InChI Key: | PLGOPPKFKPNZHD-UHFFFAOYSA-N |