methyl 4,5-dimethoxy-2-({1-[3-(2-methoxy-2-oxoethyl)-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}amino)benzoate
Chemical Structure Depiction of
methyl 4,5-dimethoxy-2-({1-[3-(2-methoxy-2-oxoethyl)-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}amino)benzoate
methyl 4,5-dimethoxy-2-({1-[3-(2-methoxy-2-oxoethyl)-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}amino)benzoate
Compound characteristics
| Compound ID: | Y600-3881 |
| Compound Name: | methyl 4,5-dimethoxy-2-({1-[3-(2-methoxy-2-oxoethyl)-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}amino)benzoate |
| Molecular Weight: | 467.48 |
| Molecular Formula: | C24 H25 N3 O7 |
| Smiles: | C/C(=C1\C(CC(=O)OC)=NN(C1=O)c1ccccc1)Nc1cc(c(cc1C(=O)OC)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 2.5956 |
| logD: | 0.3978 |
| logSw: | -3.289 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.854 |
| InChI Key: | RWUNJWFTLVPXQB-UHFFFAOYSA-N |