2-methoxyethyl 6-bromo-2-methyl-5-[(3-nitrophenyl)methoxy]-1-benzofuran-3-carboxylate
Chemical Structure Depiction of
2-methoxyethyl 6-bromo-2-methyl-5-[(3-nitrophenyl)methoxy]-1-benzofuran-3-carboxylate
2-methoxyethyl 6-bromo-2-methyl-5-[(3-nitrophenyl)methoxy]-1-benzofuran-3-carboxylate
Compound characteristics
| Compound ID: | 4554-5074 |
| Compound Name: | 2-methoxyethyl 6-bromo-2-methyl-5-[(3-nitrophenyl)methoxy]-1-benzofuran-3-carboxylate |
| Molecular Weight: | 464.27 |
| Molecular Formula: | C20 H18 Br N O7 |
| Smiles: | Cc1c(C(=O)OCCOC)c2cc(c(cc2o1)[Br])OCc1cccc(c1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.1289 |
| logD: | 4.1289 |
| logSw: | -4.639 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 78.272 |
| InChI Key: | VVYACLMLCCTOHD-UHFFFAOYSA-N |