[4-(8-ethoxy-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-6-yl)phenoxy]acetonitrile
Chemical Structure Depiction of
[4-(8-ethoxy-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-6-yl)phenoxy]acetonitrile
[4-(8-ethoxy-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-6-yl)phenoxy]acetonitrile
Compound characteristics
| Compound ID: | D313-0122 |
| Compound Name: | [4-(8-ethoxy-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-6-yl)phenoxy]acetonitrile |
| Molecular Weight: | 349.38 |
| Molecular Formula: | C21 H19 N O4 |
| Smiles: | CCOC1=CC(=CC(c2c1c(C)oc2C)=O)c1ccc(cc1)OCC#N |
| Stereo: | ACHIRAL |
| logP: | 3.5397 |
| logD: | 3.5397 |
| logSw: | -3.6445 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 53.17 |
| InChI Key: | FSXOBVMQVVYNPR-UHFFFAOYSA-N |