N-{[rel-(4aR,7aS)-1-benzyl-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}-3-(2-methoxyphenyl)propanamide
Chemical Structure Depiction of
N-{[rel-(4aR,7aS)-1-benzyl-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}-3-(2-methoxyphenyl)propanamide
N-{[rel-(4aR,7aS)-1-benzyl-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}-3-(2-methoxyphenyl)propanamide
Compound characteristics
| Compound ID: | S233-2156 |
| Compound Name: | N-{[rel-(4aR,7aS)-1-benzyl-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}-3-(2-methoxyphenyl)propanamide |
| Molecular Weight: | 420.55 |
| Molecular Formula: | C26 H32 N2 O3 |
| Smiles: | [H][C@@]12CCC[C@]1(CCC(N2Cc1ccccc1)=O)CNC(CCc1ccccc1OC)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.6953 |
| logD: | 3.6953 |
| logSw: | -3.929 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.361 |
| InChI Key: | ZGSZTLXOTHYUMA-BVAGGSTKSA-N |