2-(4-bromophenyl)-5-methyl-4-{[4-(piperidine-1-carbonyl)anilino]methylidene}-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(4-bromophenyl)-5-methyl-4-{[4-(piperidine-1-carbonyl)anilino]methylidene}-2,4-dihydro-3H-pyrazol-3-one
2-(4-bromophenyl)-5-methyl-4-{[4-(piperidine-1-carbonyl)anilino]methylidene}-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | Y508-1723 |
| Compound Name: | 2-(4-bromophenyl)-5-methyl-4-{[4-(piperidine-1-carbonyl)anilino]methylidene}-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 467.36 |
| Molecular Formula: | C23 H23 Br N4 O2 |
| Smiles: | CC1/C(=C/Nc2ccc(cc2)C(N2CCCCC2)=O)C(N(c2ccc(cc2)[Br])N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0178 |
| logD: | 4.016 |
| logSw: | -4.0467 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.836 |
| InChI Key: | WGVQNKUHRMAXAZ-UHFFFAOYSA-N |