N-{[rel-(4aR,7aS)-1-(cyclohexylmethyl)-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}-2,4-dimethoxybenzamide
Chemical Structure Depiction of
N-{[rel-(4aR,7aS)-1-(cyclohexylmethyl)-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}-2,4-dimethoxybenzamide
N-{[rel-(4aR,7aS)-1-(cyclohexylmethyl)-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}-2,4-dimethoxybenzamide
Compound characteristics
| Compound ID: | S233-1654 |
| Compound Name: | N-{[rel-(4aR,7aS)-1-(cyclohexylmethyl)-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}-2,4-dimethoxybenzamide |
| Molecular Weight: | 428.57 |
| Molecular Formula: | C25 H36 N2 O4 |
| Smiles: | [H][C@@]12CCC[C@]1(CCC(N2CC1CCCCC1)=O)CNC(c1ccc(cc1OC)OC)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.5889 |
| logD: | 4.5889 |
| logSw: | -4.4983 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.31 |
| InChI Key: | QWXUDKVSFFJDKF-RDGATRHJSA-N |