4-{[4-(benzyloxy)-3-methoxyphenyl]methylidene}-2-(3-chlorophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-{[4-(benzyloxy)-3-methoxyphenyl]methylidene}-2-(3-chlorophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
4-{[4-(benzyloxy)-3-methoxyphenyl]methylidene}-2-(3-chlorophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 2082-0461 |
| Compound Name: | 4-{[4-(benzyloxy)-3-methoxyphenyl]methylidene}-2-(3-chlorophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 432.91 |
| Molecular Formula: | C25 H21 Cl N2 O3 |
| Smiles: | CC1/C(=C/c2ccc(c(c2)OC)OCc2ccccc2)C(N(c2cccc(c2)[Cl])N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3711 |
| logD: | 5.3711 |
| logSw: | -6.0893 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.531 |
| InChI Key: | XVTWQNBGKSUGMZ-UHFFFAOYSA-N |