N-[(1-benzyl-7-oxoazepan-4-yl)methyl]-5-bromopyridine-3-carboxamide
Chemical Structure Depiction of
N-[(1-benzyl-7-oxoazepan-4-yl)methyl]-5-bromopyridine-3-carboxamide
N-[(1-benzyl-7-oxoazepan-4-yl)methyl]-5-bromopyridine-3-carboxamide
Compound characteristics
| Compound ID: | T831-0300 |
| Compound Name: | N-[(1-benzyl-7-oxoazepan-4-yl)methyl]-5-bromopyridine-3-carboxamide |
| Molecular Weight: | 416.32 |
| Molecular Formula: | C20 H22 Br N3 O2 |
| Smiles: | C1CC(N(CCC1CNC(c1cc(cnc1)[Br])=O)Cc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7354 |
| logD: | 2.7354 |
| logSw: | -3.1743 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.486 |
| InChI Key: | KLEJJFUIJIOLHO-HNNXBMFYSA-N |