N-{4-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]phenyl}-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide
Chemical Structure Depiction of
N-{4-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]phenyl}-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide
N-{4-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]phenyl}-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide
Compound characteristics
| Compound ID: | G217-1054 |
| Compound Name: | N-{4-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]phenyl}-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide |
| Molecular Weight: | 496.38 |
| Molecular Formula: | C25 H23 Br F N3 O2 |
| Smiles: | C1CCN(C(Nc2ccc(CC(Nc3ccc(cc3F)[Br])=O)cc2)=O)c2ccccc2C1 |
| Stereo: | ACHIRAL |
| logP: | 5.766 |
| logD: | 5.7259 |
| logSw: | -5.7556 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 46.883 |
| InChI Key: | PTOVWZVFVBRPMN-UHFFFAOYSA-N |