N-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-N-methyl-2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamide
Chemical Structure Depiction of
N-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-N-methyl-2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamide
N-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-N-methyl-2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamide
Compound characteristics
| Compound ID: | C548-3888 |
| Compound Name: | N-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-N-methyl-2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamide |
| Molecular Weight: | 500.57 |
| Molecular Formula: | C24 H28 N4 O6 S |
| Smiles: | CN(CC(N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O)S(c1ccc2c(CCC(N2)=O)c1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0214 |
| logD: | 0.8284 |
| logSw: | -2.6187 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.672 |
| InChI Key: | XDPHUSVQXYKTOY-UHFFFAOYSA-N |