2-[5-(azepane-1-sulfonyl)-1H-indol-1-yl]-1-(3,4-dihydroisoquinolin-2(1H)-yl)propan-1-one
Chemical Structure Depiction of
2-[5-(azepane-1-sulfonyl)-1H-indol-1-yl]-1-(3,4-dihydroisoquinolin-2(1H)-yl)propan-1-one
2-[5-(azepane-1-sulfonyl)-1H-indol-1-yl]-1-(3,4-dihydroisoquinolin-2(1H)-yl)propan-1-one
Compound characteristics
| Compound ID: | E848-3216 |
| Compound Name: | 2-[5-(azepane-1-sulfonyl)-1H-indol-1-yl]-1-(3,4-dihydroisoquinolin-2(1H)-yl)propan-1-one |
| Molecular Weight: | 465.61 |
| Molecular Formula: | C26 H31 N3 O3 S |
| Smiles: | CC(C(N1CCc2ccccc2C1)=O)n1ccc2cc(ccc12)S(N1CCCCCC1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3035 |
| logD: | 4.3035 |
| logSw: | -4.2058 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.113 |
| InChI Key: | SQRYYGPLSODJLE-FQEVSTJZSA-N |