2-(4-bromo-2,3-dimethylphenyl)-5-methyl-4-{[(5-methyl-2,1,3-benzothiadiazol-4-yl)amino]methylidene}-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(4-bromo-2,3-dimethylphenyl)-5-methyl-4-{[(5-methyl-2,1,3-benzothiadiazol-4-yl)amino]methylidene}-2,4-dihydro-3H-pyrazol-3-one
2-(4-bromo-2,3-dimethylphenyl)-5-methyl-4-{[(5-methyl-2,1,3-benzothiadiazol-4-yl)amino]methylidene}-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 5882-0548 |
| Compound Name: | 2-(4-bromo-2,3-dimethylphenyl)-5-methyl-4-{[(5-methyl-2,1,3-benzothiadiazol-4-yl)amino]methylidene}-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 456.36 |
| Molecular Formula: | C20 H18 Br N5 O S |
| Smiles: | CC1/C(=C/Nc2c(C)ccc3c2nsn3)C(N(c2ccc(c(C)c2C)[Br])N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8542 |
| logD: | 4.8525 |
| logSw: | -4.6209 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.444 |
| InChI Key: | LEKMUUWPEDISSJ-UHFFFAOYSA-N |