[3-(4-bromophenyl)-4,9-dimethyl-7-oxo-7H-furo[2,3-f][1]benzopyran-8-yl]acetic acid
Chemical Structure Depiction of
[3-(4-bromophenyl)-4,9-dimethyl-7-oxo-7H-furo[2,3-f][1]benzopyran-8-yl]acetic acid
[3-(4-bromophenyl)-4,9-dimethyl-7-oxo-7H-furo[2,3-f][1]benzopyran-8-yl]acetic acid
Compound characteristics
| Compound ID: | D129-0129 |
| Compound Name: | [3-(4-bromophenyl)-4,9-dimethyl-7-oxo-7H-furo[2,3-f][1]benzopyran-8-yl]acetic acid |
| Molecular Weight: | 427.25 |
| Molecular Formula: | C21 H15 Br O5 |
| Smiles: | CC1=C(CC(O)=O)C(=O)Oc2cc(C)c3c(coc3c12)c1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.9084 |
| logD: | 1.4497 |
| logSw: | -4.8516 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.065 |
| InChI Key: | XZCMRWJSGHHOPB-UHFFFAOYSA-N |