N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-ethyl-4-oxo-1,4-dihydroquinoline-3-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-ethyl-4-oxo-1,4-dihydroquinoline-3-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-ethyl-4-oxo-1,4-dihydroquinoline-3-carboxamide
Compound characteristics
| Compound ID: | C519-2052 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-ethyl-4-oxo-1,4-dihydroquinoline-3-carboxamide |
| Molecular Weight: | 545.61 |
| Molecular Formula: | C29 H27 N3 O6 S |
| Smiles: | CCN1C=C(C(c2cc(ccc12)S(N1CCc2ccccc2C1)(=O)=O)=O)C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8391 |
| logD: | 3.8391 |
| logSw: | -3.9501 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.46 |
| InChI Key: | GTLFGADHEFXBSZ-UHFFFAOYSA-N |