5-hydroxy-2,2-dimethyl-6-[(1E)-3-oxo-3-(piperidin-1-yl)prop-1-en-1-yl]-4-(piperidin-1-yl)-3,4-dihydro-2H-1-benzopyran-3-yl acetate
Chemical Structure Depiction of
5-hydroxy-2,2-dimethyl-6-[(1E)-3-oxo-3-(piperidin-1-yl)prop-1-en-1-yl]-4-(piperidin-1-yl)-3,4-dihydro-2H-1-benzopyran-3-yl acetate
5-hydroxy-2,2-dimethyl-6-[(1E)-3-oxo-3-(piperidin-1-yl)prop-1-en-1-yl]-4-(piperidin-1-yl)-3,4-dihydro-2H-1-benzopyran-3-yl acetate
Compound characteristics
| Compound ID: | 0080-0034 |
| Compound Name: | 5-hydroxy-2,2-dimethyl-6-[(1E)-3-oxo-3-(piperidin-1-yl)prop-1-en-1-yl]-4-(piperidin-1-yl)-3,4-dihydro-2H-1-benzopyran-3-yl acetate |
| Molecular Weight: | 456.58 |
| Molecular Formula: | C26 H36 N2 O5 |
| Smiles: | CC(=O)OC1C(c2c(ccc(/C=C/C(N3CCCCC3)=O)c2O)OC1(C)C)N1CCCCC1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.6996 |
| logD: | 2.4961 |
| logSw: | -3.9504 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.962 |
| InChI Key: | FRDWBYRDTKNHAO-UHFFFAOYSA-N |