1-{6-[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)piperidine-1-sulfonyl]-3,4-dihydroquinolin-1(2H)-yl}ethan-1-one
Chemical Structure Depiction of
1-{6-[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)piperidine-1-sulfonyl]-3,4-dihydroquinolin-1(2H)-yl}ethan-1-one
1-{6-[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)piperidine-1-sulfonyl]-3,4-dihydroquinolin-1(2H)-yl}ethan-1-one
Compound characteristics
| Compound ID: | G855-0479 |
| Compound Name: | 1-{6-[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)piperidine-1-sulfonyl]-3,4-dihydroquinolin-1(2H)-yl}ethan-1-one |
| Molecular Weight: | 481.61 |
| Molecular Formula: | C26 H31 N3 O4 S |
| Smiles: | CC(N1CCCc2cc(ccc12)S(N1CCC(CC1)C(N1CCc2ccccc2C1)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.951 |
| logD: | 2.951 |
| logSw: | -3.4932 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 64.312 |
| InChI Key: | DCGMXJIMRLLTOI-UHFFFAOYSA-N |