ethyl 2-methyl-4-oxo-5-{[4-(propan-2-yl)phenyl]methylidene}-4,5-dihydro-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 2-methyl-4-oxo-5-{[4-(propan-2-yl)phenyl]methylidene}-4,5-dihydro-1H-pyrrole-3-carboxylate
ethyl 2-methyl-4-oxo-5-{[4-(propan-2-yl)phenyl]methylidene}-4,5-dihydro-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | 4031-1775 |
| Compound Name: | ethyl 2-methyl-4-oxo-5-{[4-(propan-2-yl)phenyl]methylidene}-4,5-dihydro-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 299.37 |
| Molecular Formula: | C18 H21 N O3 |
| Smiles: | CCOC(C1=C(C)NC(=C\c2ccc(cc2)C(C)C)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2726 |
| logD: | 4.1064 |
| logSw: | -4.1276 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.064 |
| InChI Key: | LAEKNIVSTWWDKJ-UHFFFAOYSA-N |