N-[4-(2-{[(3-bromophenyl)methyl]amino}-2-oxoethyl)phenyl]-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide
Chemical Structure Depiction of
N-[4-(2-{[(3-bromophenyl)methyl]amino}-2-oxoethyl)phenyl]-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide
N-[4-(2-{[(3-bromophenyl)methyl]amino}-2-oxoethyl)phenyl]-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide
Compound characteristics
| Compound ID: | G217-1185 |
| Compound Name: | N-[4-(2-{[(3-bromophenyl)methyl]amino}-2-oxoethyl)phenyl]-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide |
| Molecular Weight: | 492.42 |
| Molecular Formula: | C26 H26 Br N3 O2 |
| Smiles: | C1CCN(C(Nc2ccc(CC(NCc3cccc(c3)[Br])=O)cc2)=O)c2ccccc2C1 |
| Stereo: | ACHIRAL |
| logP: | 5.5008 |
| logD: | 5.5008 |
| logSw: | -5.6726 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 48.903 |
| InChI Key: | DMTABNMNWCGLBE-UHFFFAOYSA-N |