N-{[rel-(4aR,7aS)-1-(2-methoxyethyl)-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}-4-(propan-2-yl)benzene-1-sulfonamide
Chemical Structure Depiction of
N-{[rel-(4aR,7aS)-1-(2-methoxyethyl)-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}-4-(propan-2-yl)benzene-1-sulfonamide
N-{[rel-(4aR,7aS)-1-(2-methoxyethyl)-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}-4-(propan-2-yl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | S233-2229 |
| Compound Name: | N-{[rel-(4aR,7aS)-1-(2-methoxyethyl)-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}-4-(propan-2-yl)benzene-1-sulfonamide |
| Molecular Weight: | 408.56 |
| Molecular Formula: | C21 H32 N2 O4 S |
| Smiles: | [H][C@@]12CCC[C@]1(CCC(N2CCOC)=O)CNS(c1ccc(cc1)C(C)C)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.2568 |
| logD: | 3.2568 |
| logSw: | -3.6419 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.881 |
| InChI Key: | RKKQRHOWMLXKGH-CTNGQTDRSA-N |