methyl 3-{[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}-5-nitrobenzoate
Chemical Structure Depiction of
methyl 3-{[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}-5-nitrobenzoate
methyl 3-{[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}-5-nitrobenzoate
Compound characteristics
| Compound ID: | 4130-4929 |
| Compound Name: | methyl 3-{[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}-5-nitrobenzoate |
| Molecular Weight: | 402.71 |
| Molecular Formula: | C16 H10 Cl F3 N2 O5 |
| Smiles: | COC(c1cc(cc(c1)[N+]([O-])=O)C(Nc1cc(ccc1[Cl])C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5603 |
| logD: | 2.5213 |
| logSw: | -4.7278 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.187 |
| InChI Key: | FUJLZMMLCPIRMF-UHFFFAOYSA-N |