1-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-7-(pyrrolidine-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-(pyrrolidine-1-sulfonyl)-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one
1-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-7-(pyrrolidine-1-sulfonyl)-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one
Compound characteristics
| Compound ID: | L707-0086 |
| Compound Name: | 1-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-7-(pyrrolidine-1-sulfonyl)-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one |
| Molecular Weight: | 467.59 |
| Molecular Formula: | C25 H29 N3 O4 S |
| Smiles: | C1CC(N(CC(N2CCc3ccccc3C2)=O)c2ccc(cc2C1)S(N1CCCC1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2165 |
| logD: | 3.2165 |
| logSw: | -3.6262 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 64.081 |
| InChI Key: | SETBTRXJPDIMOW-UHFFFAOYSA-N |