6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}quinolin-2(1H)-one
Chemical Structure Depiction of
6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}quinolin-2(1H)-one
6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}quinolin-2(1H)-one
Compound characteristics
| Compound ID: | G852-0158 |
| Compound Name: | 6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}quinolin-2(1H)-one |
| Molecular Weight: | 427.48 |
| Molecular Formula: | C21 H21 N3 O5 S |
| Smiles: | C1CN(CCN1Cc1ccc2c(c1)OCO2)S(c1ccc2c(C=CC(N2)=O)c1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2851 |
| logD: | 2.1837 |
| logSw: | -3.0902 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.426 |
| InChI Key: | OKIDMWDSRSEJCU-UHFFFAOYSA-N |