N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-2-ethyl-7-oxoazepane-2-carboxamide
Chemical Structure Depiction of
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-2-ethyl-7-oxoazepane-2-carboxamide
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-2-ethyl-7-oxoazepane-2-carboxamide
Compound characteristics
| Compound ID: | S515-0404 |
| Compound Name: | N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-2-ethyl-7-oxoazepane-2-carboxamide |
| Molecular Weight: | 357.5 |
| Molecular Formula: | C21 H31 N3 O2 |
| Smiles: | CCC1(CCCCC(N1)=O)C(NCCCN1CCc2ccccc2C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0139 |
| logD: | 0.8099 |
| logSw: | -2.6185 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.512 |
| InChI Key: | CJQJDANQWSYBES-NRFANRHFSA-N |