ethyl 4-[6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-ethyl-4-oxo-1,4-dihydroquinoline-3-carbonyl]piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-[6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-ethyl-4-oxo-1,4-dihydroquinoline-3-carbonyl]piperazine-1-carboxylate
ethyl 4-[6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-ethyl-4-oxo-1,4-dihydroquinoline-3-carbonyl]piperazine-1-carboxylate
Compound characteristics
| Compound ID: | C519-2005 |
| Compound Name: | ethyl 4-[6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-ethyl-4-oxo-1,4-dihydroquinoline-3-carbonyl]piperazine-1-carboxylate |
| Molecular Weight: | 552.65 |
| Molecular Formula: | C28 H32 N4 O6 S |
| Smiles: | CCN1C=C(C(c2cc(ccc12)S(N1CCc2ccccc2C1)(=O)=O)=O)C(N1CCN(CC1)C(=O)OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8677 |
| logD: | 2.8677 |
| logSw: | -3.6244 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 86.36 |
| InChI Key: | VLMYHBLNDZGWBG-UHFFFAOYSA-N |