7-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl]-N-ethyl-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Chemical Structure Depiction of
7-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl]-N-ethyl-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
7-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl]-N-ethyl-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Compound characteristics
| Compound ID: | S629-0497 |
| Compound Name: | 7-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl]-N-ethyl-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide |
| Molecular Weight: | 407.51 |
| Molecular Formula: | C24 H29 N3 O3 |
| Smiles: | CCNC(N1CCOc2ccc(CCC(N3CCc4ccccc4C3)=O)cc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.292 |
| logD: | 3.292 |
| logSw: | -3.329 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.654 |
| InChI Key: | MRFDQLPPCSCZNJ-UHFFFAOYSA-N |