4-[(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-[(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-[(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: | 4896-3204 |
| Compound Name: | 4-[(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: | 444.51 |
| Molecular Formula: | C23 H20 N6 O2 S |
| Smiles: | CC1/C(=C/Nc2ccccc2c2c(nc(nn2)SCC=C)O)C(N(c2ccccc2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2437 |
| logD: | 2.7208 |
| logSw: | -3.5766 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.37 |
| InChI Key: | FWRVHDXLBOZJQM-UHFFFAOYSA-N |