7-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-N-(4-fluorophenyl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Chemical Structure Depiction of
7-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-N-(4-fluorophenyl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
7-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-N-(4-fluorophenyl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Compound characteristics
| Compound ID: | T634-0958 |
| Compound Name: | 7-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-N-(4-fluorophenyl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide |
| Molecular Weight: | 431.51 |
| Molecular Formula: | C26 H26 F N3 O2 |
| Smiles: | C1CN(Cc2ccc3c(CN(CCO3)C(Nc3ccc(cc3)F)=O)c2)Cc2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 4.7146 |
| logD: | 4.3358 |
| logSw: | -4.635 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.046 |
| InChI Key: | RVCLRMZFCLWODI-UHFFFAOYSA-N |