1-methylpiperidin-4-yl 6-bromo-2-oxo-2H-1-benzopyran-3-carboxylate
Chemical Structure Depiction of
1-methylpiperidin-4-yl 6-bromo-2-oxo-2H-1-benzopyran-3-carboxylate
1-methylpiperidin-4-yl 6-bromo-2-oxo-2H-1-benzopyran-3-carboxylate
Compound characteristics
| Compound ID: | 8013-2338 |
| Compound Name: | 1-methylpiperidin-4-yl 6-bromo-2-oxo-2H-1-benzopyran-3-carboxylate |
| Molecular Weight: | 366.21 |
| Molecular Formula: | C16 H16 Br N O4 |
| Smiles: | CN1CCC(CC1)OC(C1=Cc2cc(ccc2OC1=O)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 2.3326 |
| logD: | -0.6355 |
| logSw: | -2.9785 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 44.721 |
| InChI Key: | LNIVKEZMQMFOIO-UHFFFAOYSA-N |