N-{[rel-(4aR,7aS)-1-benzyl-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}-3-methylbutanamide
Chemical Structure Depiction of
N-{[rel-(4aR,7aS)-1-benzyl-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}-3-methylbutanamide
N-{[rel-(4aR,7aS)-1-benzyl-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}-3-methylbutanamide
Compound characteristics
| Compound ID: | S233-2098 |
| Compound Name: | N-{[rel-(4aR,7aS)-1-benzyl-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}-3-methylbutanamide |
| Molecular Weight: | 342.48 |
| Molecular Formula: | C21 H30 N2 O2 |
| Smiles: | [H][C@@]12CCC[C@]1(CCC(N2Cc1ccccc1)=O)CNC(CC(C)C)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.0449 |
| logD: | 3.0449 |
| logSw: | -3.2995 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.002 |
| InChI Key: | DKMVPHHWFRJCJB-NQIIRXRSSA-N |