1-benzyl-7-oxo-N-[3-(pyrrolidin-1-yl)propyl]azepane-2-carboxamide
Chemical Structure Depiction of
1-benzyl-7-oxo-N-[3-(pyrrolidin-1-yl)propyl]azepane-2-carboxamide
1-benzyl-7-oxo-N-[3-(pyrrolidin-1-yl)propyl]azepane-2-carboxamide
Compound characteristics
| Compound ID: | S513-0637 |
| Compound Name: | 1-benzyl-7-oxo-N-[3-(pyrrolidin-1-yl)propyl]azepane-2-carboxamide |
| Molecular Weight: | 357.5 |
| Molecular Formula: | C21 H31 N3 O2 |
| Smiles: | C1CCC(N(Cc2ccccc2)C(C1)C(NCCCN1CCCC1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8693 |
| logD: | -1.2212 |
| logSw: | -2.1922 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.583 |
| InChI Key: | KXAFELQNZUZVBB-IBGZPJMESA-N |