N-(2,6-difluorophenyl)-7-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Chemical Structure Depiction of
N-(2,6-difluorophenyl)-7-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
N-(2,6-difluorophenyl)-7-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Compound characteristics
| Compound ID: | T634-0944 |
| Compound Name: | N-(2,6-difluorophenyl)-7-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide |
| Molecular Weight: | 449.5 |
| Molecular Formula: | C26 H25 F2 N3 O2 |
| Smiles: | C1CN(Cc2ccc3c(CN(CCO3)C(Nc3c(cccc3F)F)=O)c2)Cc2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 4.9457 |
| logD: | 4.567 |
| logSw: | -4.8161 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.651 |
| InChI Key: | TZXTXPNDGIYDKV-UHFFFAOYSA-N |