3-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-N-(2-ethoxyphenyl)-N-methyl-4-oxo-1,4-dihydroquinoline-6-sulfonamide
Chemical Structure Depiction of
3-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-N-(2-ethoxyphenyl)-N-methyl-4-oxo-1,4-dihydroquinoline-6-sulfonamide
3-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-N-(2-ethoxyphenyl)-N-methyl-4-oxo-1,4-dihydroquinoline-6-sulfonamide
Compound characteristics
| Compound ID: | K917-0734 |
| Compound Name: | 3-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-N-(2-ethoxyphenyl)-N-methyl-4-oxo-1,4-dihydroquinoline-6-sulfonamide |
| Molecular Weight: | 517.6 |
| Molecular Formula: | C28 H27 N3 O5 S |
| Smiles: | CCOc1ccccc1N(C)S(c1ccc2c(c1)C(C(=CN2)C(N1CCc2ccccc2C1)=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2608 |
| logD: | 2.9376 |
| logSw: | -4.1404 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.398 |
| InChI Key: | HPZLNPXUPKSUJO-UHFFFAOYSA-N |