(2S)-(4-hydroxyphenyl)[3-(3,5,9-trimethyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl)propanamido]acetic acid
Chemical Structure Depiction of
(2S)-(4-hydroxyphenyl)[3-(3,5,9-trimethyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl)propanamido]acetic acid
(2S)-(4-hydroxyphenyl)[3-(3,5,9-trimethyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl)propanamido]acetic acid
Compound characteristics
| Compound ID: | Y041-2399 |
| Compound Name: | (2S)-(4-hydroxyphenyl)[3-(3,5,9-trimethyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl)propanamido]acetic acid |
| Molecular Weight: | 449.46 |
| Molecular Formula: | C25 H23 N O7 |
| Smiles: | CC1=C(CCC(N[C@H](C(O)=O)c2ccc(cc2)O)=O)C(=O)Oc2c1cc1c(C)coc1c2C |
| Stereo: | ABSOLUTE |
| logP: | 2.5249 |
| logD: | -1.3494 |
| logSw: | -2.9772 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 100.214 |
| InChI Key: | AQOFRUWLFYIEOR-NRFANRHFSA-N |