6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-ethyl-N-{2-[ethyl(phenyl)amino]ethyl}-4-oxo-1,4-dihydroquinoline-3-carboxamide
Chemical Structure Depiction of
6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-ethyl-N-{2-[ethyl(phenyl)amino]ethyl}-4-oxo-1,4-dihydroquinoline-3-carboxamide
6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-ethyl-N-{2-[ethyl(phenyl)amino]ethyl}-4-oxo-1,4-dihydroquinoline-3-carboxamide
Compound characteristics
| Compound ID: | C519-2102 |
| Compound Name: | 6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-ethyl-N-{2-[ethyl(phenyl)amino]ethyl}-4-oxo-1,4-dihydroquinoline-3-carboxamide |
| Molecular Weight: | 558.7 |
| Molecular Formula: | C31 H34 N4 O4 S |
| Smiles: | CCN(CCNC(C1=CN(CC)c2ccc(cc2C1=O)S(N1CCc2ccccc2C1)(=O)=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.3228 |
| logD: | 4.3222 |
| logSw: | -4.1673 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.176 |
| InChI Key: | SMARXLXRXUSQQE-UHFFFAOYSA-N |