3-fluoro-N-{[rel-(4aR,7aS)-1-(2-methoxyethyl)-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}-4-methylbenzamide
Chemical Structure Depiction of
3-fluoro-N-{[rel-(4aR,7aS)-1-(2-methoxyethyl)-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}-4-methylbenzamide
3-fluoro-N-{[rel-(4aR,7aS)-1-(2-methoxyethyl)-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}-4-methylbenzamide
Compound characteristics
| Compound ID: | S233-1787 |
| Compound Name: | 3-fluoro-N-{[rel-(4aR,7aS)-1-(2-methoxyethyl)-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}-4-methylbenzamide |
| Molecular Weight: | 362.44 |
| Molecular Formula: | C20 H27 F N2 O3 |
| Smiles: | [H][C@@]12CCC[C@]1(CCC(N2CCOC)=O)CNC(c1ccc(C)c(c1)F)=O |
| Stereo: | RELATIVE |
| logP: | 2.5404 |
| logD: | 2.5403 |
| logSw: | -2.6918 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.536 |
| InChI Key: | YPOIOISIULEIDR-XLIONFOSSA-N |