N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-3-(1H-indol-3-yl)-N-(oxan-4-yl)propanamide
Chemical Structure Depiction of
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-3-(1H-indol-3-yl)-N-(oxan-4-yl)propanamide
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-3-(1H-indol-3-yl)-N-(oxan-4-yl)propanamide
Compound characteristics
Compound ID: | SC12-0027 |
Compound Name: | N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-3-(1H-indol-3-yl)-N-(oxan-4-yl)propanamide |
Molecular Weight: | 445.61 |
Molecular Formula: | C28 H35 N3 O2 |
Smiles: | C(CN1CCc2ccccc2C1)CN(C1CCOCC1)C(CCc1c[nH]c2ccccc12)=O |
Stereo: | ACHIRAL |
logP: | 4.2155 |
logD: | 3.2388 |
logSw: | -4.0813 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 36.297 |
InChI Key: | SETAHZZQZFMOKG-UHFFFAOYSA-N |