7-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-N-(3-ethoxypropyl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Chemical Structure Depiction of
7-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-N-(3-ethoxypropyl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
7-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-N-(3-ethoxypropyl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Compound characteristics
| Compound ID: | T634-0886 |
| Compound Name: | 7-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-N-(3-ethoxypropyl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide |
| Molecular Weight: | 423.56 |
| Molecular Formula: | C25 H33 N3 O3 |
| Smiles: | CCOCCCNC(N1CCOc2ccc(CN3CCc4ccccc4C3)cc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.792 |
| logD: | 3.4133 |
| logSw: | -3.7373 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.459 |
| InChI Key: | YMPSFRFFHDHSQX-UHFFFAOYSA-N |