N-{[rel-(4aR,7aS)-1-benzyl-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}-2-ethylbutanamide
Chemical Structure Depiction of
N-{[rel-(4aR,7aS)-1-benzyl-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}-2-ethylbutanamide
N-{[rel-(4aR,7aS)-1-benzyl-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}-2-ethylbutanamide
Compound characteristics
| Compound ID: | S233-2097 |
| Compound Name: | N-{[rel-(4aR,7aS)-1-benzyl-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}-2-ethylbutanamide |
| Molecular Weight: | 356.51 |
| Molecular Formula: | C22 H32 N2 O2 |
| Smiles: | [H][C@@]12CCC[C@]1(CCC(N2Cc1ccccc1)=O)CNC(C(CC)CC)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.3083 |
| logD: | 3.3083 |
| logSw: | -3.336 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.215 |
| InChI Key: | VGXDBIISQNYNPJ-KNQAVFIVSA-N |