methyl 4-(4-bromophenyl)-2-(7,8-dimethoxy-2-oxo-2H-1-benzopyran-4-yl)-4-oxobutanoate
Chemical Structure Depiction of
methyl 4-(4-bromophenyl)-2-(7,8-dimethoxy-2-oxo-2H-1-benzopyran-4-yl)-4-oxobutanoate
methyl 4-(4-bromophenyl)-2-(7,8-dimethoxy-2-oxo-2H-1-benzopyran-4-yl)-4-oxobutanoate
Compound characteristics
| Compound ID: | Y040-4836 |
| Compound Name: | methyl 4-(4-bromophenyl)-2-(7,8-dimethoxy-2-oxo-2H-1-benzopyran-4-yl)-4-oxobutanoate |
| Molecular Weight: | 475.29 |
| Molecular Formula: | C22 H19 Br O7 |
| Smiles: | COC(C(CC(c1ccc(cc1)[Br])=O)C1=CC(=O)Oc2c1ccc(c2OC)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7984 |
| logD: | 3.7984 |
| logSw: | -4.2702 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 69.827 |
| InChI Key: | YIVZFZJMRVNFOO-MRXNPFEDSA-N |