1-[6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}-3,4-dihydroquinolin-1(2H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}-3,4-dihydroquinolin-1(2H)-yl]ethan-1-one
1-[6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}-3,4-dihydroquinolin-1(2H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | G855-0158 |
| Compound Name: | 1-[6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}-3,4-dihydroquinolin-1(2H)-yl]ethan-1-one |
| Molecular Weight: | 457.55 |
| Molecular Formula: | C23 H27 N3 O5 S |
| Smiles: | CC(N1CCCc2cc(ccc12)S(N1CCN(CC1)Cc1ccc2c(c1)OCO2)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2824 |
| logD: | 2.1872 |
| logSw: | -2.8208 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 68.658 |
| InChI Key: | CGDSRCVGDLCYMJ-UHFFFAOYSA-N |