2-(4-bromo-2-methylphenyl)-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-methylphenyl)-5-methyl-4-{[(5-methyl-2,1,3-benzothiadiazol-4-yl)amino]methylidene}-2,4-dihydro-3H-pyrazol-3-one
2-(4-bromo-2-methylphenyl)-5-methyl-4-{[(5-methyl-2,1,3-benzothiadiazol-4-yl)amino]methylidene}-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 5882-1552 |
| Compound Name: | 2-(4-bromo-2-methylphenyl)-5-methyl-4-{[(5-methyl-2,1,3-benzothiadiazol-4-yl)amino]methylidene}-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 442.34 |
| Molecular Formula: | C19 H16 Br N5 O S |
| Smiles: | CC1/C(=C/Nc2c(C)ccc3c2nsn3)C(N(c2ccc(cc2C)[Br])N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8586 |
| logD: | 4.8569 |
| logSw: | -4.7001 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.444 |
| InChI Key: | NBASFPFJZRBMCQ-UHFFFAOYSA-N |