3-benzyl-7-[2-(4-bromophenyl)-2-oxoethoxy]-4-methyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-benzyl-7-[2-(4-bromophenyl)-2-oxoethoxy]-4-methyl-2H-1-benzopyran-2-one
3-benzyl-7-[2-(4-bromophenyl)-2-oxoethoxy]-4-methyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-7732 |
| Compound Name: | 3-benzyl-7-[2-(4-bromophenyl)-2-oxoethoxy]-4-methyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 463.33 |
| Molecular Formula: | C25 H19 Br O4 |
| Smiles: | CC1=C(Cc2ccccc2)C(=O)Oc2cc(ccc12)OCC(c1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.6768 |
| logD: | 5.6768 |
| logSw: | -5.6294 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.363 |
| InChI Key: | UXFLOHQFXQHJBQ-UHFFFAOYSA-N |