3-(azepan-1-yl)-4-ethoxycyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-(azepan-1-yl)-4-ethoxycyclobut-3-ene-1,2-dione
3-(azepan-1-yl)-4-ethoxycyclobut-3-ene-1,2-dione
Compound characteristics
Compound ID: | G317-0063 |
Compound Name: | 3-(azepan-1-yl)-4-ethoxycyclobut-3-ene-1,2-dione |
Molecular Weight: | 223.27 |
Molecular Formula: | C12 H17 N O3 |
Smiles: | CCOC1=C(C(C1=O)=O)N1CCCCCC1 |
Stereo: | ACHIRAL |
logP: | 2.3447 |
logD: | 2.3441 |
logSw: | -2.054 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 38.198 |
InChI Key: | OFUHROPDSIHTMG-UHFFFAOYSA-N |