N-{[rel-(4aR,7aS)-1-benzyl-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanamide
Chemical Structure Depiction of
N-{[rel-(4aR,7aS)-1-benzyl-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanamide
N-{[rel-(4aR,7aS)-1-benzyl-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanamide
Compound characteristics
| Compound ID: | S233-2172 |
| Compound Name: | N-{[rel-(4aR,7aS)-1-benzyl-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanamide |
| Molecular Weight: | 422.57 |
| Molecular Formula: | C25 H34 N4 O2 |
| Smiles: | [H][C@@]12CCC[C@]1(CCC(N2Cc1ccccc1)=O)CNC(CCc1c(C)nn(C)c1C)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.0166 |
| logD: | 2.0164 |
| logSw: | -2.3314 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.57 |
| InChI Key: | UZKVZZGPFYCWIW-RDGATRHJSA-N |