4-{[(2,1,3-benzothiadiazol-4-yl)amino]methylidene}-2-(4-bromo-2-methylphenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-{[(2,1,3-benzothiadiazol-4-yl)amino]methylidene}-2-(4-bromo-2-methylphenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
4-{[(2,1,3-benzothiadiazol-4-yl)amino]methylidene}-2-(4-bromo-2-methylphenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 5881-1637 |
| Compound Name: | 4-{[(2,1,3-benzothiadiazol-4-yl)amino]methylidene}-2-(4-bromo-2-methylphenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 428.31 |
| Molecular Formula: | C18 H14 Br N5 O S |
| Smiles: | CC1/C(=C/Nc2cccc3c2nsn3)C(N(c2ccc(cc2C)[Br])N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8107 |
| logD: | 4.8096 |
| logSw: | -4.6591 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.142 |
| InChI Key: | LYUVNJYEEIVOCT-UHFFFAOYSA-N |