4-[(4-bromo-2-{5-hydroxy-3-[(prop-2-en-1-yl)sulfanyl]-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-[(prop-2-en-1-yl)sulfanyl]-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-[(prop-2-en-1-yl)sulfanyl]-1,2,4-triazin-6-yl}anilino)methylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 4896-5037 |
| Compound Name: | 4-[(4-bromo-2-{5-hydroxy-3-[(prop-2-en-1-yl)sulfanyl]-1,2,4-triazin-6-yl}anilino)methylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 523.41 |
| Molecular Formula: | C23 H19 Br N6 O2 S |
| Smiles: | CC1/C(=C/Nc2ccc(cc2c2c(nc(nn2)SCC=C)O)[Br])C(N(c2ccccc2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1788 |
| logD: | 3.7695 |
| logSw: | -4.2273 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.37 |
| InChI Key: | DZPOQVMSBGKRSP-UHFFFAOYSA-N |