4-chloro-N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-2-methoxy-N-(oxan-4-yl)benzamide
Chemical Structure Depiction of
4-chloro-N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-2-methoxy-N-(oxan-4-yl)benzamide
4-chloro-N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-2-methoxy-N-(oxan-4-yl)benzamide
Compound characteristics
| Compound ID: | SC12-0029 |
| Compound Name: | 4-chloro-N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-2-methoxy-N-(oxan-4-yl)benzamide |
| Molecular Weight: | 442.99 |
| Molecular Formula: | C25 H31 Cl N2 O3 |
| Smiles: | COc1cc(ccc1C(N(CCCN1CCc2ccccc2C1)C1CCOCC1)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.5799 |
| logD: | 3.6547 |
| logSw: | -4.6536 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 34.584 |
| InChI Key: | XIDXICBJGPEPJJ-UHFFFAOYSA-N |