ethyl 4-(3-methyl-4-{[1-(4-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoate
Chemical Structure Depiction of
ethyl 4-(3-methyl-4-{[1-(4-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoate
ethyl 4-(3-methyl-4-{[1-(4-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoate
Compound characteristics
| Compound ID: | 8012-7375 |
| Compound Name: | ethyl 4-(3-methyl-4-{[1-(4-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoate |
| Molecular Weight: | 444.45 |
| Molecular Formula: | C24 H20 N4 O5 |
| Smiles: | CCOC(c1ccc(cc1)N1C(C(=C\c2cccn2c2ccc(cc2)[N+]([O-])=O)\C(C)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9234 |
| logD: | 4.9234 |
| logSw: | -4.6023 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 82.252 |
| InChI Key: | YKAKKMJHCJQYME-UHFFFAOYSA-N |