6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-ethyl-N-[(furan-2-yl)methyl]-4-oxo-1,4-dihydroquinoline-3-carboxamide
Chemical Structure Depiction of
6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-ethyl-N-[(furan-2-yl)methyl]-4-oxo-1,4-dihydroquinoline-3-carboxamide
6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-ethyl-N-[(furan-2-yl)methyl]-4-oxo-1,4-dihydroquinoline-3-carboxamide
Compound characteristics
| Compound ID: | C519-2050 |
| Compound Name: | 6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-ethyl-N-[(furan-2-yl)methyl]-4-oxo-1,4-dihydroquinoline-3-carboxamide |
| Molecular Weight: | 491.57 |
| Molecular Formula: | C26 H25 N3 O5 S |
| Smiles: | CCN1C=C(C(c2cc(ccc12)S(N1CCc2ccccc2C1)(=O)=O)=O)C(NCc1ccco1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6767 |
| logD: | 3.6765 |
| logSw: | -3.9464 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.094 |
| InChI Key: | MIVAXJSUSNRZRW-UHFFFAOYSA-N |