6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-ethyl-N-[(2-methoxyphenyl)methyl]-4-oxo-1,4-dihydroquinoline-3-carboxamide
Chemical Structure Depiction of
6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-ethyl-N-[(2-methoxyphenyl)methyl]-4-oxo-1,4-dihydroquinoline-3-carboxamide
6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-ethyl-N-[(2-methoxyphenyl)methyl]-4-oxo-1,4-dihydroquinoline-3-carboxamide
Compound characteristics
| Compound ID: | C519-2062 |
| Compound Name: | 6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-ethyl-N-[(2-methoxyphenyl)methyl]-4-oxo-1,4-dihydroquinoline-3-carboxamide |
| Molecular Weight: | 531.63 |
| Molecular Formula: | C29 H29 N3 O5 S |
| Smiles: | CCN1C=C(C(c2cc(ccc12)S(N1CCc2ccccc2C1)(=O)=O)=O)C(NCc1ccccc1OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1473 |
| logD: | 4.1472 |
| logSw: | -4.1599 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.975 |
| InChI Key: | YOWVRMPZFMQAOH-UHFFFAOYSA-N |