6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-ethyl-N-{2-[methyl(2-phenylethyl)amino]ethyl}-4-oxo-1,4-dihydroquinoline-3-carboxamide
Chemical Structure Depiction of
6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-ethyl-N-{2-[methyl(2-phenylethyl)amino]ethyl}-4-oxo-1,4-dihydroquinoline-3-carboxamide
6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-ethyl-N-{2-[methyl(2-phenylethyl)amino]ethyl}-4-oxo-1,4-dihydroquinoline-3-carboxamide
Compound characteristics
| Compound ID: | C519-2105 |
| Compound Name: | 6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-ethyl-N-{2-[methyl(2-phenylethyl)amino]ethyl}-4-oxo-1,4-dihydroquinoline-3-carboxamide |
| Molecular Weight: | 572.73 |
| Molecular Formula: | C32 H36 N4 O4 S |
| Smiles: | CCN1C=C(C(c2cc(ccc12)S(N1CCc2ccccc2C1)(=O)=O)=O)C(NCCN(C)CCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7616 |
| logD: | 2.686 |
| logSw: | -3.9877 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.259 |
| InChI Key: | WTDSXECITJICLB-UHFFFAOYSA-N |