ethyl 3-{2,5-dimethyl-3-[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]-1H-pyrrol-1-yl}benzoate
Chemical Structure Depiction of
ethyl 3-{2,5-dimethyl-3-[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]-1H-pyrrol-1-yl}benzoate
ethyl 3-{2,5-dimethyl-3-[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]-1H-pyrrol-1-yl}benzoate
Compound characteristics
| Compound ID: | 3972-1401 |
| Compound Name: | ethyl 3-{2,5-dimethyl-3-[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]-1H-pyrrol-1-yl}benzoate |
| Molecular Weight: | 427.5 |
| Molecular Formula: | C26 H25 N3 O3 |
| Smiles: | CCOC(c1cccc(c1)n1c(C)cc(\C=C2/C(C)=NN(C2=O)c2ccccc2)c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7737 |
| logD: | 4.7737 |
| logSw: | -4.6161 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.005 |
| InChI Key: | NPAFLOKDLZQKPK-UHFFFAOYSA-N |