1-benzyl-3-{2-oxo-2-[4-(pyrimidin-2-yl)piperazin-1-yl]ethyl}azepan-2-one
Chemical Structure Depiction of
1-benzyl-3-{2-oxo-2-[4-(pyrimidin-2-yl)piperazin-1-yl]ethyl}azepan-2-one
1-benzyl-3-{2-oxo-2-[4-(pyrimidin-2-yl)piperazin-1-yl]ethyl}azepan-2-one
Compound characteristics
| Compound ID: | S581-1060 |
| Compound Name: | 1-benzyl-3-{2-oxo-2-[4-(pyrimidin-2-yl)piperazin-1-yl]ethyl}azepan-2-one |
| Molecular Weight: | 407.51 |
| Molecular Formula: | C23 H29 N5 O2 |
| Smiles: | C1CCN(Cc2ccccc2)C(C(C1)CC(N1CCN(CC1)c1ncccn1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4369 |
| logD: | 2.4369 |
| logSw: | -2.5025 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 54.931 |
| InChI Key: | KWJMIRPDSGEBTQ-HXUWFJFHSA-N |