3-methoxy-N-{[rel-(4aR,7aS)-1-(2-methoxyethyl)-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}benzene-1-sulfonamide
Chemical Structure Depiction of
3-methoxy-N-{[rel-(4aR,7aS)-1-(2-methoxyethyl)-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}benzene-1-sulfonamide
3-methoxy-N-{[rel-(4aR,7aS)-1-(2-methoxyethyl)-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}benzene-1-sulfonamide
Compound characteristics
| Compound ID: | S233-1778 |
| Compound Name: | 3-methoxy-N-{[rel-(4aR,7aS)-1-(2-methoxyethyl)-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}benzene-1-sulfonamide |
| Molecular Weight: | 396.5 |
| Molecular Formula: | C19 H28 N2 O5 S |
| Smiles: | [H][C@@]12CCC[C@]1(CCC(N2CCOC)=O)CNS(c1cccc(c1)OC)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.8021 |
| logD: | 1.8021 |
| logSw: | -2.5871 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.425 |
| InChI Key: | WPMUUQJXJSAKPO-MJGOQNOKSA-N |