N-{[rel-(4aR,7aS)-1-benzyl-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}-2-(3-methyl-1H-pyrazol-1-yl)acetamide
Chemical Structure Depiction of
N-{[rel-(4aR,7aS)-1-benzyl-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}-2-(3-methyl-1H-pyrazol-1-yl)acetamide
N-{[rel-(4aR,7aS)-1-benzyl-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}-2-(3-methyl-1H-pyrazol-1-yl)acetamide
Compound characteristics
| Compound ID: | S233-2189 |
| Compound Name: | N-{[rel-(4aR,7aS)-1-benzyl-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}-2-(3-methyl-1H-pyrazol-1-yl)acetamide |
| Molecular Weight: | 380.49 |
| Molecular Formula: | C22 H28 N4 O2 |
| Smiles: | [H][C@@]12CCC[C@]1(CCC(N2Cc1ccccc1)=O)CNC(Cn1ccc(C)n1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.8561 |
| logD: | 1.8561 |
| logSw: | -2.174 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.197 |
| InChI Key: | QNIOSPCVHFKQLQ-KNQAVFIVSA-N |