1-[(3-tert-butyl-5,9-dimethyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl)acetyl]piperidine-4-carboxylic acid
Chemical Structure Depiction of
1-[(3-tert-butyl-5,9-dimethyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl)acetyl]piperidine-4-carboxylic acid
1-[(3-tert-butyl-5,9-dimethyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl)acetyl]piperidine-4-carboxylic acid
Compound characteristics
| Compound ID: | Y040-4326 |
| Compound Name: | 1-[(3-tert-butyl-5,9-dimethyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl)acetyl]piperidine-4-carboxylic acid |
| Molecular Weight: | 439.51 |
| Molecular Formula: | C25 H29 N O6 |
| Smiles: | CC1=C(CC(N2CCC(CC2)C(O)=O)=O)C(=O)Oc2c1cc1c(coc1c2C)C(C)(C)C |
| Stereo: | ACHIRAL |
| logP: | 3.2509 |
| logD: | 0.6979 |
| logSw: | -3.3387 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.166 |
| InChI Key: | BPFBZNTZMXYZSD-UHFFFAOYSA-N |