methyl 3-nitro-5-{[3-(trifluoromethyl)phenyl]carbamoyl}benzoate
Chemical Structure Depiction of
methyl 3-nitro-5-{[3-(trifluoromethyl)phenyl]carbamoyl}benzoate
methyl 3-nitro-5-{[3-(trifluoromethyl)phenyl]carbamoyl}benzoate
Compound characteristics
| Compound ID: | Y032-0009 |
| Compound Name: | methyl 3-nitro-5-{[3-(trifluoromethyl)phenyl]carbamoyl}benzoate |
| Molecular Weight: | 368.27 |
| Molecular Formula: | C16 H11 F3 N2 O5 |
| Smiles: | COC(c1cc(cc(c1)[N+]([O-])=O)C(Nc1cccc(c1)C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1804 |
| logD: | 3.7979 |
| logSw: | -4.5446 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.885 |
| InChI Key: | FGUNBJMTETUZHJ-UHFFFAOYSA-N |