N-{[rel-(4aR,7aS)-1-benzyl-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}-1-methyl-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
N-{[rel-(4aR,7aS)-1-benzyl-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}-1-methyl-1H-pyrazole-3-carboxamide
N-{[rel-(4aR,7aS)-1-benzyl-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}-1-methyl-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | S233-2187 |
| Compound Name: | N-{[rel-(4aR,7aS)-1-benzyl-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}-1-methyl-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 366.46 |
| Molecular Formula: | C21 H26 N4 O2 |
| Smiles: | [H][C@@]12CCC[C@]1(CCC(N2Cc1ccccc1)=O)CNC(c1ccn(C)n1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.7052 |
| logD: | 1.7052 |
| logSw: | -2.1197 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.636 |
| InChI Key: | WTJTXDHAASILIJ-NQIIRXRSSA-N |