1-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-7-(piperidine-1-sulfonyl)-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one
Chemical Structure Depiction of
1-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-7-(piperidine-1-sulfonyl)-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one
1-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-7-(piperidine-1-sulfonyl)-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one
Compound characteristics
| Compound ID: | L707-0479 |
| Compound Name: | 1-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-7-(piperidine-1-sulfonyl)-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one |
| Molecular Weight: | 481.61 |
| Molecular Formula: | C26 H31 N3 O4 S |
| Smiles: | C1CCN(CC1)S(c1ccc2c(CCCC(N2CC(N2CCc3ccccc3C2)=O)=O)c1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.547 |
| logD: | 3.547 |
| logSw: | -3.8836 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.715 |
| InChI Key: | NBWIEYXPKWSJPB-UHFFFAOYSA-N |