N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-2-[2-oxo-1-(propan-2-yl)-2,4,5,6,7,7a-hexahydro-1H-indol-3-yl]acetamide
Chemical Structure Depiction of
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-2-[2-oxo-1-(propan-2-yl)-2,4,5,6,7,7a-hexahydro-1H-indol-3-yl]acetamide
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-2-[2-oxo-1-(propan-2-yl)-2,4,5,6,7,7a-hexahydro-1H-indol-3-yl]acetamide
Compound characteristics
| Compound ID: | S579-0399 |
| Compound Name: | N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-2-[2-oxo-1-(propan-2-yl)-2,4,5,6,7,7a-hexahydro-1H-indol-3-yl]acetamide |
| Molecular Weight: | 409.57 |
| Molecular Formula: | C25 H35 N3 O2 |
| Smiles: | CC(C)N1C2CCCCC2=C(CC(NCCCN2CCc3ccccc3C2)=O)C1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8835 |
| logD: | 1.6794 |
| logSw: | -3.1804 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.931 |
| InChI Key: | XERQJZIMTJSGGW-HSZRJFAPSA-N |