methyl 3-[(3,4-difluorophenyl)carbamoyl]-5-nitrobenzoate
Chemical Structure Depiction of
methyl 3-[(3,4-difluorophenyl)carbamoyl]-5-nitrobenzoate
methyl 3-[(3,4-difluorophenyl)carbamoyl]-5-nitrobenzoate
Compound characteristics
| Compound ID: | Y032-0099 |
| Compound Name: | methyl 3-[(3,4-difluorophenyl)carbamoyl]-5-nitrobenzoate |
| Molecular Weight: | 336.25 |
| Molecular Formula: | C15 H10 F2 N2 O5 |
| Smiles: | COC(c1cc(cc(c1)[N+]([O-])=O)C(Nc1ccc(c(c1)F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4938 |
| logD: | 2.0574 |
| logSw: | -3.7824 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.885 |
| InChI Key: | LUVUQJRBZYBKSD-UHFFFAOYSA-N |