2-(4-bromophenyl)-2-oxoethyl 2-oxo-8-(prop-2-en-1-yl)-2H-1-benzopyran-3-carboxylate
Chemical Structure Depiction of
2-(4-bromophenyl)-2-oxoethyl 2-oxo-8-(prop-2-en-1-yl)-2H-1-benzopyran-3-carboxylate
2-(4-bromophenyl)-2-oxoethyl 2-oxo-8-(prop-2-en-1-yl)-2H-1-benzopyran-3-carboxylate
Compound characteristics
| Compound ID: | 0848-0160 |
| Compound Name: | 2-(4-bromophenyl)-2-oxoethyl 2-oxo-8-(prop-2-en-1-yl)-2H-1-benzopyran-3-carboxylate |
| Molecular Weight: | 427.25 |
| Molecular Formula: | C21 H15 Br O5 |
| Smiles: | C=CCc1cccc2C=C(C(=O)OCC(c3ccc(cc3)[Br])=O)C(=O)Oc12 |
| Stereo: | ACHIRAL |
| logP: | 4.5681 |
| logD: | 4.5681 |
| logSw: | -4.8674 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 54.949 |
| InChI Key: | GQCDLNJNJUQRQC-UHFFFAOYSA-N |