5-bromo-N-{[rel-(4aR,7aS)-2-oxo-1-propyloctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}pyridine-3-carboxamide
Chemical Structure Depiction of
5-bromo-N-{[rel-(4aR,7aS)-2-oxo-1-propyloctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}pyridine-3-carboxamide
5-bromo-N-{[rel-(4aR,7aS)-2-oxo-1-propyloctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}pyridine-3-carboxamide
Compound characteristics
| Compound ID: | S233-2016 |
| Compound Name: | 5-bromo-N-{[rel-(4aR,7aS)-2-oxo-1-propyloctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}pyridine-3-carboxamide |
| Molecular Weight: | 394.31 |
| Molecular Formula: | C18 H24 Br N3 O2 |
| Smiles: | [H][C@@]12CCC[C@]1(CCC(N2CCC)=O)CNC(c1cc(cnc1)[Br])=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.6515 |
| logD: | 2.6514 |
| logSw: | -2.717 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.801 |
| InChI Key: | BYZFJKUKFQIUMS-QAPCUYQASA-N |