N-[(3-tert-butyl-5,9-dimethyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl)acetyl]-D-phenylalanine
Chemical Structure Depiction of
N-[(3-tert-butyl-5,9-dimethyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl)acetyl]-D-phenylalanine
N-[(3-tert-butyl-5,9-dimethyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl)acetyl]-D-phenylalanine
Compound characteristics
| Compound ID: | Y041-1827 |
| Compound Name: | N-[(3-tert-butyl-5,9-dimethyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl)acetyl]-D-phenylalanine |
| Molecular Weight: | 475.54 |
| Molecular Formula: | C28 H29 N O6 |
| Smiles: | CC1=C(CC(N[C@H](Cc2ccccc2)C(O)=O)=O)C(=O)Oc2c1cc1c(coc1c2C)C(C)(C)C |
| Stereo: | ABSOLUTE |
| logP: | 3.8963 |
| logD: | 0.3056 |
| logSw: | -4.107 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.876 |
| InChI Key: | IWXAIXFBGNHMQY-QFIPXVFZSA-N |