ethyl 4-{3-[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]-2,5-diphenyl-1H-pyrrol-1-yl}benzoate
Chemical Structure Depiction of
ethyl 4-{3-[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]-2,5-diphenyl-1H-pyrrol-1-yl}benzoate
ethyl 4-{3-[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]-2,5-diphenyl-1H-pyrrol-1-yl}benzoate
Compound characteristics
| Compound ID: | 3609-0134 |
| Compound Name: | ethyl 4-{3-[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]-2,5-diphenyl-1H-pyrrol-1-yl}benzoate |
| Molecular Weight: | 551.65 |
| Molecular Formula: | C36 H29 N3 O3 |
| Smiles: | CCOC(c1ccc(cc1)n1c(cc(/C=C2/C(C)=NN(C2=O)c2ccccc2)c1c1ccccc1)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 7.8673 |
| logD: | 7.8673 |
| logSw: | -5.7408 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.521 |
| InChI Key: | GDXTXGPSYNXUES-UHFFFAOYSA-N |