N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-1-methyl-7-oxoazepane-2-carboxamide
Chemical Structure Depiction of
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-1-methyl-7-oxoazepane-2-carboxamide
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-1-methyl-7-oxoazepane-2-carboxamide
Compound characteristics
| Compound ID: | S513-0126 |
| Compound Name: | N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-1-methyl-7-oxoazepane-2-carboxamide |
| Molecular Weight: | 343.47 |
| Molecular Formula: | C20 H29 N3 O2 |
| Smiles: | CN1C(CCCCC1=O)C(NCCCN1CCc2ccccc2C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5219 |
| logD: | 0.3178 |
| logSw: | -2.1399 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.916 |
| InChI Key: | GERLZKSHXJGEQX-SFHVURJKSA-N |