ethyl 1-[(3-ethyl-7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-8-yl)methyl]piperidine-3-carboxylate
Chemical Structure Depiction of
ethyl 1-[(3-ethyl-7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-8-yl)methyl]piperidine-3-carboxylate
ethyl 1-[(3-ethyl-7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-8-yl)methyl]piperidine-3-carboxylate
Compound characteristics
| Compound ID: | D355-0255 |
| Compound Name: | ethyl 1-[(3-ethyl-7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-8-yl)methyl]piperidine-3-carboxylate |
| Molecular Weight: | 373.45 |
| Molecular Formula: | C21 H27 N O5 |
| Smiles: | CCC1=C(C)c2ccc(c(CN3CCCC(C3)C(=O)OCC)c2OC1=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4038 |
| logD: | 3.267 |
| logSw: | -3.2726 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.812 |
| InChI Key: | CDRMQHMIONZCFR-AWEZNQCLSA-N |