N-{[rel-(4aR,7aS)-1-benzyl-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}butane-1-sulfonamide
Chemical Structure Depiction of
N-{[rel-(4aR,7aS)-1-benzyl-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}butane-1-sulfonamide
N-{[rel-(4aR,7aS)-1-benzyl-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}butane-1-sulfonamide
Compound characteristics
| Compound ID: | S233-2151 |
| Compound Name: | N-{[rel-(4aR,7aS)-1-benzyl-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}butane-1-sulfonamide |
| Molecular Weight: | 378.53 |
| Molecular Formula: | C20 H30 N2 O3 S |
| Smiles: | [H][C@@]12CCC[C@]1(CCC(N2Cc1ccccc1)=O)CNS(CCCC)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.9326 |
| logD: | 2.9326 |
| logSw: | -3.4047 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.187 |
| InChI Key: | HZSMBBZARHWBPZ-QUCCMNQESA-N |