N-{[rel-(4aR,7aS)-1-(2-methoxyethyl)-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}-2,1,3-benzothiadiazole-4-sulfonamide
Chemical Structure Depiction of
N-{[rel-(4aR,7aS)-1-(2-methoxyethyl)-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}-2,1,3-benzothiadiazole-4-sulfonamide
N-{[rel-(4aR,7aS)-1-(2-methoxyethyl)-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}-2,1,3-benzothiadiazole-4-sulfonamide
Compound characteristics
| Compound ID: | S233-1802 |
| Compound Name: | N-{[rel-(4aR,7aS)-1-(2-methoxyethyl)-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}-2,1,3-benzothiadiazole-4-sulfonamide |
| Molecular Weight: | 424.54 |
| Molecular Formula: | C18 H24 N4 O4 S2 |
| Smiles: | [H][C@@]12CCC[C@]1(CCC(N2CCOC)=O)CNS(c1cccc2c1nsn2)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.7253 |
| logD: | 1.7242 |
| logSw: | -2.3529 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.834 |
| InChI Key: | DZRSGNPIZIQXFK-QAPCUYQASA-N |