6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-ethyl-3-[4-(pyridin-2-yl)piperazine-1-carbonyl]quinolin-4(1H)-one
Chemical Structure Depiction of
6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-ethyl-3-[4-(pyridin-2-yl)piperazine-1-carbonyl]quinolin-4(1H)-one
6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-ethyl-3-[4-(pyridin-2-yl)piperazine-1-carbonyl]quinolin-4(1H)-one
Compound characteristics
| Compound ID: | C519-2025 |
| Compound Name: | 6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-ethyl-3-[4-(pyridin-2-yl)piperazine-1-carbonyl]quinolin-4(1H)-one |
| Molecular Weight: | 557.67 |
| Molecular Formula: | C30 H31 N5 O4 S |
| Smiles: | CCN1C=C(C(c2cc(ccc12)S(N1CCc2ccccc2C1)(=O)=O)=O)C(N1CCN(CC1)c1ccccn1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6328 |
| logD: | 3.624 |
| logSw: | -3.9052 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 75.352 |
| InChI Key: | BRWDMWWPTREHNM-UHFFFAOYSA-N |