8-ethoxy-1,3-dimethyl-2-(2-oxo-2-phenylethyl)cyclohepta[c]pyrrol-4(2H)-one
Chemical Structure Depiction of
8-ethoxy-1,3-dimethyl-2-(2-oxo-2-phenylethyl)cyclohepta[c]pyrrol-4(2H)-one
8-ethoxy-1,3-dimethyl-2-(2-oxo-2-phenylethyl)cyclohepta[c]pyrrol-4(2H)-one
Compound characteristics
| Compound ID: | 6557-0080 |
| Compound Name: | 8-ethoxy-1,3-dimethyl-2-(2-oxo-2-phenylethyl)cyclohepta[c]pyrrol-4(2H)-one |
| Molecular Weight: | 335.4 |
| Molecular Formula: | C21 H21 N O3 |
| Smiles: | CCOC1=CC=CC(c2c1c(C)n(CC(c1ccccc1)=O)c2C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3638 |
| logD: | 3.3638 |
| logSw: | -3.5662 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 35.496 |
| InChI Key: | MSAHQVZXNVTTDD-UHFFFAOYSA-N |