rel-(5R,6R)-5-(4-acetyl-1,4-diazepane-1-carbonyl)-1-(2-methylpropyl)-6-(pyridin-3-yl)piperidin-2-one
Chemical Structure Depiction of
rel-(5R,6R)-5-(4-acetyl-1,4-diazepane-1-carbonyl)-1-(2-methylpropyl)-6-(pyridin-3-yl)piperidin-2-one
rel-(5R,6R)-5-(4-acetyl-1,4-diazepane-1-carbonyl)-1-(2-methylpropyl)-6-(pyridin-3-yl)piperidin-2-one
Compound characteristics
| Compound ID: | SB13-0237 |
| Compound Name: | rel-(5R,6R)-5-(4-acetyl-1,4-diazepane-1-carbonyl)-1-(2-methylpropyl)-6-(pyridin-3-yl)piperidin-2-one |
| Molecular Weight: | 400.52 |
| Molecular Formula: | C22 H32 N4 O3 |
| Smiles: | CC(C)CN1C(CC[C@@H](C(N2CCCN(CC2)C(C)=O)=O)[C@@H]1c1cccnc1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.2102 |
| logD: | 1.2101 |
| logSw: | -2.2092 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.165 |
| InChI Key: | PONJPSKAHMPRTQ-TZIWHRDSSA-N |