N-[4-(2-{[(4-fluorophenyl)methyl]amino}-2-oxoethyl)phenyl]-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide
Chemical Structure Depiction of
N-[4-(2-{[(4-fluorophenyl)methyl]amino}-2-oxoethyl)phenyl]-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide
N-[4-(2-{[(4-fluorophenyl)methyl]amino}-2-oxoethyl)phenyl]-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide
Compound characteristics
Compound ID: | G217-1089 |
Compound Name: | N-[4-(2-{[(4-fluorophenyl)methyl]amino}-2-oxoethyl)phenyl]-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide |
Molecular Weight: | 431.51 |
Molecular Formula: | C26 H26 F N3 O2 |
Smiles: | C1CCN(C(Nc2ccc(CC(NCc3ccc(cc3)F)=O)cc2)=O)c2ccccc2C1 |
Stereo: | ACHIRAL |
logP: | 4.777 |
logD: | 4.7769 |
logSw: | -4.6375 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 48.903 |
InChI Key: | OIARJPHRRNDZCC-UHFFFAOYSA-N |