4-({4-bromo-2-[3-(ethylsulfanyl)-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-({4-bromo-2-[3-(ethylsulfanyl)-5-hydroxy-1,2,4-triazin-6-yl]anilino}methylidene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
4-({4-bromo-2-[3-(ethylsulfanyl)-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: | 4896-4049 |
| Compound Name: | 4-({4-bromo-2-[3-(ethylsulfanyl)-5-hydroxy-1,2,4-triazin-6-yl]anilino}methylidene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 511.4 |
| Molecular Formula: | C22 H19 Br N6 O2 S |
| Smiles: | CCSc1nc(c(c2cc(ccc2N/C=C2\C(C)=NN(C2=O)c2ccccc2)[Br])nn1)O |
| Stereo: | ACHIRAL |
| logP: | 3.9198 |
| logD: | 3.3144 |
| logSw: | -3.9027 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.37 |
| InChI Key: | DUEFPDPLOJSIBI-UHFFFAOYSA-N |