N-{[rel-(4aR,7aS)-1-(2-methoxyethyl)-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}-1,3-dimethyl-1H-pyrazole-5-carboxamide
Chemical Structure Depiction of
N-{[rel-(4aR,7aS)-1-(2-methoxyethyl)-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}-1,3-dimethyl-1H-pyrazole-5-carboxamide
N-{[rel-(4aR,7aS)-1-(2-methoxyethyl)-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}-1,3-dimethyl-1H-pyrazole-5-carboxamide
Compound characteristics
| Compound ID: | S233-1834 |
| Compound Name: | N-{[rel-(4aR,7aS)-1-(2-methoxyethyl)-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}-1,3-dimethyl-1H-pyrazole-5-carboxamide |
| Molecular Weight: | 348.44 |
| Molecular Formula: | C18 H28 N4 O3 |
| Smiles: | [H][C@@]12CCC[C@]1(CCC(N2CCOC)=O)CNC(c1cc(C)nn1C)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.4267 |
| logD: | 0.4267 |
| logSw: | -1.4088 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.859 |
| InChI Key: | CGIMOYUEJUMCIU-QAPCUYQASA-N |