4-{[1-(3-bromophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-2-methoxyphenyl propanoate
Chemical Structure Depiction of
4-{[1-(3-bromophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-2-methoxyphenyl propanoate
4-{[1-(3-bromophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-2-methoxyphenyl propanoate
Compound characteristics
| Compound ID: | 8009-2840 |
| Compound Name: | 4-{[1-(3-bromophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-2-methoxyphenyl propanoate |
| Molecular Weight: | 443.3 |
| Molecular Formula: | C21 H19 Br N2 O4 |
| Smiles: | CCC(=O)Oc1ccc(/C=C2/C(C)=NN(C2=O)c2cccc(c2)[Br])cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.4317 |
| logD: | 4.4317 |
| logSw: | -4.5581 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.358 |
| InChI Key: | ZSXZGIUXNXLQSS-UHFFFAOYSA-N |