methyl 4-(4-bromophenyl)-2-(7-methoxy-8-methyl-2-oxo-2H-1-benzopyran-4-yl)-4-oxobutanoate
Chemical Structure Depiction of
methyl 4-(4-bromophenyl)-2-(7-methoxy-8-methyl-2-oxo-2H-1-benzopyran-4-yl)-4-oxobutanoate
methyl 4-(4-bromophenyl)-2-(7-methoxy-8-methyl-2-oxo-2H-1-benzopyran-4-yl)-4-oxobutanoate
Compound characteristics
| Compound ID: | Y040-4817 |
| Compound Name: | methyl 4-(4-bromophenyl)-2-(7-methoxy-8-methyl-2-oxo-2H-1-benzopyran-4-yl)-4-oxobutanoate |
| Molecular Weight: | 459.29 |
| Molecular Formula: | C22 H19 Br O6 |
| Smiles: | Cc1c(ccc2C(=CC(=O)Oc12)C(CC(c1ccc(cc1)[Br])=O)C(=O)OC)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3815 |
| logD: | 4.3815 |
| logSw: | -4.5401 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 62.11 |
| InChI Key: | NGSHGQCDPYAVEC-QGZVFWFLSA-N |