7-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-N-[(furan-2-yl)methyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Chemical Structure Depiction of
7-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-N-[(furan-2-yl)methyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
7-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-N-[(furan-2-yl)methyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Compound characteristics
| Compound ID: | T634-0967 |
| Compound Name: | 7-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-N-[(furan-2-yl)methyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide |
| Molecular Weight: | 417.51 |
| Molecular Formula: | C25 H27 N3 O3 |
| Smiles: | C1CN(Cc2ccc3c(CN(CCO3)C(NCc3ccco3)=O)c2)Cc2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 4.0636 |
| logD: | 3.6849 |
| logSw: | -4.1163 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.117 |
| InChI Key: | XNMVLJAJZXOCCK-UHFFFAOYSA-N |