N-{[rel-(4aR,7aS)-1-(cyclohexylmethyl)-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}-2,4-difluorobenzene-1-sulfonamide
Chemical Structure Depiction of
N-{[rel-(4aR,7aS)-1-(cyclohexylmethyl)-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}-2,4-difluorobenzene-1-sulfonamide
N-{[rel-(4aR,7aS)-1-(cyclohexylmethyl)-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}-2,4-difluorobenzene-1-sulfonamide
Compound characteristics
| Compound ID: | S233-1659 |
| Compound Name: | N-{[rel-(4aR,7aS)-1-(cyclohexylmethyl)-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}-2,4-difluorobenzene-1-sulfonamide |
| Molecular Weight: | 440.55 |
| Molecular Formula: | C22 H30 F2 N2 O3 S |
| Smiles: | [H][C@@]12CCC[C@]1(CCC(N2CC1CCCCC1)=O)CNS(c1ccc(cc1F)F)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.3269 |
| logD: | 4.3269 |
| logSw: | -4.27 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.481 |
| InChI Key: | JLQURUJYNVKAAO-IRLDBZIGSA-N |