propan-2-yl 4-(4-{[4-(acetyloxy)-3-methoxyphenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoate
Chemical Structure Depiction of
propan-2-yl 4-(4-{[4-(acetyloxy)-3-methoxyphenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoate
propan-2-yl 4-(4-{[4-(acetyloxy)-3-methoxyphenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoate
Compound characteristics
| Compound ID: | 3871-0332 |
| Compound Name: | propan-2-yl 4-(4-{[4-(acetyloxy)-3-methoxyphenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoate |
| Molecular Weight: | 436.46 |
| Molecular Formula: | C24 H24 N2 O6 |
| Smiles: | CC(C)OC(c1ccc(cc1)N1C(C(=C/c2ccc(c(c2)OC)OC(C)=O)\C(C)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.795 |
| logD: | 3.795 |
| logSw: | -4.1933 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 74.488 |
| InChI Key: | ALLMKAGDJGBGPI-UHFFFAOYSA-N |