ethyl 5-{[1-(2-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 5-{[1-(2-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
ethyl 5-{[1-(2-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | 5072-0520 |
| Compound Name: | ethyl 5-{[1-(2-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 368.41 |
| Molecular Formula: | C21 H21 F N2 O3 |
| Smiles: | CCOC(C1=C(C)NC(=C\c2cc(C)n(c3ccccc3F)c2C)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7593 |
| logD: | 3.6929 |
| logSw: | -3.9609 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.428 |
| InChI Key: | SEBABWIAJNZWEC-UHFFFAOYSA-N |