6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-N-(2,2-dimethoxyethyl)-1-ethyl-N-methyl-4-oxo-1,4-dihydroquinoline-3-carboxamide
Chemical Structure Depiction of
6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-N-(2,2-dimethoxyethyl)-1-ethyl-N-methyl-4-oxo-1,4-dihydroquinoline-3-carboxamide
6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-N-(2,2-dimethoxyethyl)-1-ethyl-N-methyl-4-oxo-1,4-dihydroquinoline-3-carboxamide
Compound characteristics
| Compound ID: | C519-2011 |
| Compound Name: | 6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-N-(2,2-dimethoxyethyl)-1-ethyl-N-methyl-4-oxo-1,4-dihydroquinoline-3-carboxamide |
| Molecular Weight: | 513.61 |
| Molecular Formula: | C26 H31 N3 O6 S |
| Smiles: | CCN1C=C(C(c2cc(ccc12)S(N1CCc2ccccc2C1)(=O)=O)=O)C(N(C)CC(OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8949 |
| logD: | 1.8949 |
| logSw: | -3.008 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 78.848 |
| InChI Key: | JXGRRDRVVCPKKD-UHFFFAOYSA-N |