2-[1'-(ethanesulfonyl)-3,4-dihydrospiro[[2]benzopyran-1,4'-piperidin]-3-yl]-N-[(1-methyl-1H-pyrazol-4-yl)methyl]acetamide
Chemical Structure Depiction of
2-[1'-(ethanesulfonyl)-3,4-dihydrospiro[[2]benzopyran-1,4'-piperidin]-3-yl]-N-[(1-methyl-1H-pyrazol-4-yl)methyl]acetamide
2-[1'-(ethanesulfonyl)-3,4-dihydrospiro[[2]benzopyran-1,4'-piperidin]-3-yl]-N-[(1-methyl-1H-pyrazol-4-yl)methyl]acetamide
Compound characteristics
| Compound ID: | SA90-0252 |
| Compound Name: | 2-[1'-(ethanesulfonyl)-3,4-dihydrospiro[[2]benzopyran-1,4'-piperidin]-3-yl]-N-[(1-methyl-1H-pyrazol-4-yl)methyl]acetamide |
| Molecular Weight: | 446.57 |
| Molecular Formula: | C22 H30 N4 O4 S |
| Smiles: | CCS(N1CCC2(CC1)c1ccccc1CC(CC(NCc1cnn(C)c1)=O)O2)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.1959 |
| logD: | 1.1959 |
| logSw: | -2.3746 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.428 |
| InChI Key: | LIVJAJVWRIZAHR-LJQANCHMSA-N |