methyl 1-[2-oxo-3-(phenylcarbamoyl)-3,4-dihydro-2H-1-benzopyran-4-yl]cyclohexane-1-carboxylate
Chemical Structure Depiction of
methyl 1-[2-oxo-3-(phenylcarbamoyl)-3,4-dihydro-2H-1-benzopyran-4-yl]cyclohexane-1-carboxylate
methyl 1-[2-oxo-3-(phenylcarbamoyl)-3,4-dihydro-2H-1-benzopyran-4-yl]cyclohexane-1-carboxylate
Compound characteristics
| Compound ID: | 8016-5231 |
| Compound Name: | methyl 1-[2-oxo-3-(phenylcarbamoyl)-3,4-dihydro-2H-1-benzopyran-4-yl]cyclohexane-1-carboxylate |
| Molecular Weight: | 407.47 |
| Molecular Formula: | C24 H25 N O5 |
| Smiles: | COC(C1(CCCCC1)C1C(C(Nc2ccccc2)=O)C(=O)Oc2ccccc12)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.569 |
| logD: | 3.538 |
| logSw: | -3.8371 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.346 |
| InChI Key: | WYGHTMZVIAXLRK-UHFFFAOYSA-N |