methyl 3-[(3-fluorophenyl)carbamoyl]-5-nitrobenzoate
Chemical Structure Depiction of
methyl 3-[(3-fluorophenyl)carbamoyl]-5-nitrobenzoate
methyl 3-[(3-fluorophenyl)carbamoyl]-5-nitrobenzoate
Compound characteristics
| Compound ID: | Y032-0100 |
| Compound Name: | methyl 3-[(3-fluorophenyl)carbamoyl]-5-nitrobenzoate |
| Molecular Weight: | 318.26 |
| Molecular Formula: | C15 H11 F N2 O5 |
| Smiles: | COC(c1cc(cc(c1)[N+]([O-])=O)C(Nc1cccc(c1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2905 |
| logD: | 3.1382 |
| logSw: | -3.6707 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.885 |
| InChI Key: | NYQHMEDRWMBSPQ-UHFFFAOYSA-N |