N-(2,4-difluorophenyl)-7-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Chemical Structure Depiction of
N-(2,4-difluorophenyl)-7-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
N-(2,4-difluorophenyl)-7-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Compound characteristics
Compound ID: | T634-0966 |
Compound Name: | N-(2,4-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(Nc3ccc(cc3F)F)=O)c2)Cc2ccccc12 |
Stereo: | ACHIRAL |
logP: | 4.9974 |
logD: | 4.6187 |
logSw: | -4.7981 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 36.348 |
InChI Key: | VIUHSOFBZGHXMR-UHFFFAOYSA-N |