4-({4-bromo-2-[5-hydroxy-3-(methylsulfanyl)-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-[5-hydroxy-3-(methylsulfanyl)-1,2,4-triazin-6-yl]anilino}methylidene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
4-({4-bromo-2-[5-hydroxy-3-(methylsulfanyl)-1,2,4-triazin-6-yl]anilino}methylidene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 4896-2801 |
| Compound Name: | 4-({4-bromo-2-[5-hydroxy-3-(methylsulfanyl)-1,2,4-triazin-6-yl]anilino}methylidene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 497.37 |
| Molecular Formula: | C21 H17 Br N6 O2 S |
| Smiles: | CC1/C(=C/Nc2ccc(cc2c2c(nc(nn2)SC)O)[Br])C(N(c2ccccc2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5196 |
| logD: | 2.9142 |
| logSw: | -3.7973 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.37 |
| InChI Key: | RJBJDIJUTRXQBQ-UHFFFAOYSA-N |