3-(4-benzylpiperazine-1-carbonyl)-6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-ethylquinolin-4(1H)-one
Chemical Structure Depiction of
3-(4-benzylpiperazine-1-carbonyl)-6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-ethylquinolin-4(1H)-one
3-(4-benzylpiperazine-1-carbonyl)-6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-ethylquinolin-4(1H)-one
Compound characteristics
| Compound ID: | C519-2022 |
| Compound Name: | 3-(4-benzylpiperazine-1-carbonyl)-6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-ethylquinolin-4(1H)-one |
| Molecular Weight: | 570.71 |
| Molecular Formula: | C32 H34 N4 O4 S |
| Smiles: | CCN1C=C(C(c2cc(ccc12)S(N1CCc2ccccc2C1)(=O)=O)=O)C(N1CCN(CC1)Cc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6463 |
| logD: | 3.6256 |
| logSw: | -3.9226 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 67.12 |
| InChI Key: | WSGDJILUQLAKTI-UHFFFAOYSA-N |