6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-ethyl-4-oxo-N-[2-(pyrrolidin-1-yl)ethyl]-1,4-dihydroquinoline-3-carboxamide
Chemical Structure Depiction of
6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-ethyl-4-oxo-N-[2-(pyrrolidin-1-yl)ethyl]-1,4-dihydroquinoline-3-carboxamide
6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-ethyl-4-oxo-N-[2-(pyrrolidin-1-yl)ethyl]-1,4-dihydroquinoline-3-carboxamide
Compound characteristics
| Compound ID: | C519-2087 |
| Compound Name: | 6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-ethyl-4-oxo-N-[2-(pyrrolidin-1-yl)ethyl]-1,4-dihydroquinoline-3-carboxamide |
| Molecular Weight: | 508.64 |
| Molecular Formula: | C27 H32 N4 O4 S |
| Smiles: | CCN1C=C(C(c2cc(ccc12)S(N1CCc2ccccc2C1)(=O)=O)=O)C(NCCN1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.741 |
| logD: | 0.3945 |
| logSw: | -3.6274 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.535 |
| InChI Key: | XPJLDONOAFFVLK-UHFFFAOYSA-N |