5-chloro-N-{[rel-(4aR,7aS)-1-(2-methoxyethyl)-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}thiophene-2-sulfonamide
Chemical Structure Depiction of
5-chloro-N-{[rel-(4aR,7aS)-1-(2-methoxyethyl)-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}thiophene-2-sulfonamide
5-chloro-N-{[rel-(4aR,7aS)-1-(2-methoxyethyl)-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}thiophene-2-sulfonamide
Compound characteristics
| Compound ID: | S233-1773 |
| Compound Name: | 5-chloro-N-{[rel-(4aR,7aS)-1-(2-methoxyethyl)-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}thiophene-2-sulfonamide |
| Molecular Weight: | 406.95 |
| Molecular Formula: | C16 H23 Cl N2 O4 S2 |
| Smiles: | [H][C@@]12CCC[C@]1(CCC(N2CCOC)=O)CNS(c1ccc(s1)[Cl])(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.2455 |
| logD: | 2.2454 |
| logSw: | -3.2317 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.899 |
| InChI Key: | GKIWFMLYEYFLMJ-WBMJQRKESA-N |