2-(cyclopropylmethoxy)-N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-4-oxo-4,6,7,8,9,10-hexahydropyrido[1,2-a]azepine-1-carboxamide
Chemical Structure Depiction of
2-(cyclopropylmethoxy)-N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-4-oxo-4,6,7,8,9,10-hexahydropyrido[1,2-a]azepine-1-carboxamide
2-(cyclopropylmethoxy)-N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-4-oxo-4,6,7,8,9,10-hexahydropyrido[1,2-a]azepine-1-carboxamide
Compound characteristics
| Compound ID: | P734-2818 |
| Compound Name: | 2-(cyclopropylmethoxy)-N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-4-oxo-4,6,7,8,9,10-hexahydropyrido[1,2-a]azepine-1-carboxamide |
| Molecular Weight: | 449.59 |
| Molecular Formula: | C27 H35 N3 O3 |
| Smiles: | C1CCC2=C(C(=CC(N2CC1)=O)OCC1CC1)C(NCCCN1CCc2ccccc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2764 |
| logD: | 2.1266 |
| logSw: | -3.2521 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.672 |
| InChI Key: | WGYVTUHFMTWQLQ-UHFFFAOYSA-N |