N-[(3-tert-butyl-5,9-dimethyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl)acetyl]-D-alanine
Chemical Structure Depiction of
N-[(3-tert-butyl-5,9-dimethyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl)acetyl]-D-alanine
N-[(3-tert-butyl-5,9-dimethyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl)acetyl]-D-alanine
Compound characteristics
| Compound ID: | Y040-4428 |
| Compound Name: | N-[(3-tert-butyl-5,9-dimethyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl)acetyl]-D-alanine |
| Molecular Weight: | 399.44 |
| Molecular Formula: | C22 H25 N O6 |
| Smiles: | CC1=C(CC(N[C@H](C)C(O)=O)=O)C(=O)Oc2c1cc1c(coc1c2C)C(C)(C)C |
| Stereo: | ABSOLUTE |
| logP: | 2.7547 |
| logD: | -0.8939 |
| logSw: | -3.1822 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.68 |
| InChI Key: | MSAREGPJKYRNTH-LBPRGKRZSA-N |