4-({[4-(2-oxo-2H-1-benzopyran-3-yl)phenyl]imino}methyl)phenyl 3-bromobenzoate
Chemical Structure Depiction of
4-({[4-(2-oxo-2H-1-benzopyran-3-yl)phenyl]imino}methyl)phenyl 3-bromobenzoate
4-({[4-(2-oxo-2H-1-benzopyran-3-yl)phenyl]imino}methyl)phenyl 3-bromobenzoate
Compound characteristics
| Compound ID: | 8004-9787 |
| Compound Name: | 4-({[4-(2-oxo-2H-1-benzopyran-3-yl)phenyl]imino}methyl)phenyl 3-bromobenzoate |
| Molecular Weight: | 524.37 |
| Molecular Formula: | C29 H18 Br N O4 |
| Smiles: | C1=C(C(=O)Oc2ccccc12)c1ccc(cc1)/N=C/c1ccc(cc1)OC(c1cccc(c1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 6.1284 |
| logD: | 6.1283 |
| logSw: | -6.2229 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.394 |
| InChI Key: | MCUWEKHCKYFSID-UHFFFAOYSA-N |