N-{[rel-(4aR,7aS)-1-(2-methoxyethyl)-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
Chemical Structure Depiction of
N-{[rel-(4aR,7aS)-1-(2-methoxyethyl)-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
N-{[rel-(4aR,7aS)-1-(2-methoxyethyl)-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
Compound characteristics
| Compound ID: | S233-1813 |
| Compound Name: | N-{[rel-(4aR,7aS)-1-(2-methoxyethyl)-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}-5,6,7,8-tetrahydronaphthalene-2-sulfonamide |
| Molecular Weight: | 420.57 |
| Molecular Formula: | C22 H32 N2 O4 S |
| Smiles: | [H][C@@]12CCC[C@]1(CCC(N2CCOC)=O)CNS(c1ccc2CCCCc2c1)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.1636 |
| logD: | 3.1636 |
| logSw: | -3.4613 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.802 |
| InChI Key: | CBZUKKJPYCGDDZ-IRLDBZIGSA-N |