2-(2H-1,3-benzodioxol-5-yl)-8-ethoxy-1,3-dimethylcyclohepta[c]pyrrol-4(2H)-one
Chemical Structure Depiction of
2-(2H-1,3-benzodioxol-5-yl)-8-ethoxy-1,3-dimethylcyclohepta[c]pyrrol-4(2H)-one
2-(2H-1,3-benzodioxol-5-yl)-8-ethoxy-1,3-dimethylcyclohepta[c]pyrrol-4(2H)-one
Compound characteristics
| Compound ID: | 6557-0079 |
| Compound Name: | 2-(2H-1,3-benzodioxol-5-yl)-8-ethoxy-1,3-dimethylcyclohepta[c]pyrrol-4(2H)-one |
| Molecular Weight: | 337.37 |
| Molecular Formula: | C20 H19 N O4 |
| Smiles: | CCOC1=CC=CC(c2c1c(C)n(c1ccc3c(c1)OCO3)c2C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7008 |
| logD: | 3.7008 |
| logSw: | -4.1811 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.108 |
| InChI Key: | NQOWPVADNJDSIK-UHFFFAOYSA-N |