3-(1,3-benzothiazol-2-yl)-N-{[rel-(4aR,7aS)-1-(2-methoxyethyl)-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}propanamide
Chemical Structure Depiction of
3-(1,3-benzothiazol-2-yl)-N-{[rel-(4aR,7aS)-1-(2-methoxyethyl)-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}propanamide
3-(1,3-benzothiazol-2-yl)-N-{[rel-(4aR,7aS)-1-(2-methoxyethyl)-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}propanamide
Compound characteristics
| Compound ID: | S233-1810 |
| Compound Name: | 3-(1,3-benzothiazol-2-yl)-N-{[rel-(4aR,7aS)-1-(2-methoxyethyl)-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}propanamide |
| Molecular Weight: | 415.55 |
| Molecular Formula: | C22 H29 N3 O3 S |
| Smiles: | [H][C@@]12CCC[C@]1(CCC(N2CCOC)=O)CNC(CCc1nc2ccccc2s1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.5876 |
| logD: | 2.5876 |
| logSw: | -2.8653 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.538 |
| InChI Key: | FRNZUINFVHQNRW-GCJKJVERSA-N |