4-{[(4-bromonaphthalen-1-yl)amino]methylidene}-5-methyl-2-(4-methylphenyl)-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-{[(4-bromonaphthalen-1-yl)amino]methylidene}-5-methyl-2-(4-methylphenyl)-2,4-dihydro-3H-pyrazol-3-one
4-{[(4-bromonaphthalen-1-yl)amino]methylidene}-5-methyl-2-(4-methylphenyl)-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | Y508-2068 |
| Compound Name: | 4-{[(4-bromonaphthalen-1-yl)amino]methylidene}-5-methyl-2-(4-methylphenyl)-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 420.31 |
| Molecular Formula: | C22 H18 Br N3 O |
| Smiles: | CC1/C(=C/Nc2ccc(c3ccccc23)[Br])C(N(c2ccc(C)cc2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4455 |
| logD: | 5.442 |
| logSw: | -5.7255 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.218 |
| InChI Key: | DVKGAPHIKAHATG-UHFFFAOYSA-N |