N-{[rel-(4aR,7aS)-1-benzyl-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}-3-(3,5-dimethyl-1H-pyrazol-1-yl)propanamide
Chemical Structure Depiction of
N-{[rel-(4aR,7aS)-1-benzyl-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}-3-(3,5-dimethyl-1H-pyrazol-1-yl)propanamide
N-{[rel-(4aR,7aS)-1-benzyl-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}-3-(3,5-dimethyl-1H-pyrazol-1-yl)propanamide
Compound characteristics
| Compound ID: | S233-2164 |
| Compound Name: | N-{[rel-(4aR,7aS)-1-benzyl-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}-3-(3,5-dimethyl-1H-pyrazol-1-yl)propanamide |
| Molecular Weight: | 408.54 |
| Molecular Formula: | C24 H32 N4 O2 |
| Smiles: | [H][C@@]12CCC[C@]1(CCC(N2Cc1ccccc1)=O)CNC(CCn1c(C)cc(C)n1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.8613 |
| logD: | 1.8612 |
| logSw: | -2.386 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.716 |
| InChI Key: | GCCJYPSAXZPXQR-QPPBQGQZSA-N |