N-[2-(azepan-1-yl)ethyl]-6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-ethyl-4-oxo-1,4-dihydroquinoline-3-carboxamide
Chemical Structure Depiction of
N-[2-(azepan-1-yl)ethyl]-6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-ethyl-4-oxo-1,4-dihydroquinoline-3-carboxamide
N-[2-(azepan-1-yl)ethyl]-6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-ethyl-4-oxo-1,4-dihydroquinoline-3-carboxamide
Compound characteristics
| Compound ID: | C519-2086 |
| Compound Name: | N-[2-(azepan-1-yl)ethyl]-6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-ethyl-4-oxo-1,4-dihydroquinoline-3-carboxamide |
| Molecular Weight: | 536.69 |
| Molecular Formula: | C29 H36 N4 O4 S |
| Smiles: | CCN1C=C(C(c2cc(ccc12)S(N1CCc2ccccc2C1)(=O)=O)=O)C(NCCN1CCCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6012 |
| logD: | 1.7136 |
| logSw: | -3.8973 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.5 |
| InChI Key: | LHNMPBWSVGEMHI-UHFFFAOYSA-N |