1-(azepan-1-yl)-3-(2H-1,3-benzodioxol-5-yl)prop-2-en-1-one
Chemical Structure Depiction of
1-(azepan-1-yl)-3-(2H-1,3-benzodioxol-5-yl)prop-2-en-1-one
1-(azepan-1-yl)-3-(2H-1,3-benzodioxol-5-yl)prop-2-en-1-one
Compound characteristics
| Compound ID: | Y032-1138 |
| Compound Name: | 1-(azepan-1-yl)-3-(2H-1,3-benzodioxol-5-yl)prop-2-en-1-one |
| Molecular Weight: | 273.33 |
| Molecular Formula: | C16 H19 N O3 |
| Smiles: | C1CCCN(CC1)C(/C=C/c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2986 |
| logD: | 3.2984 |
| logSw: | -3.4319 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 33.806 |
| InChI Key: | AOJRYGWJYSVMPW-UHFFFAOYSA-N |