methyl 3-{[2-(ethoxycarbonyl)phenyl]carbamoyl}-5-nitrobenzoate
Chemical Structure Depiction of
methyl 3-{[2-(ethoxycarbonyl)phenyl]carbamoyl}-5-nitrobenzoate
methyl 3-{[2-(ethoxycarbonyl)phenyl]carbamoyl}-5-nitrobenzoate
Compound characteristics
| Compound ID: | 4130-5008 |
| Compound Name: | methyl 3-{[2-(ethoxycarbonyl)phenyl]carbamoyl}-5-nitrobenzoate |
| Molecular Weight: | 372.33 |
| Molecular Formula: | C18 H16 N2 O7 |
| Smiles: | CCOC(c1ccccc1NC(c1cc(cc(c1)[N+]([O-])=O)C(=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6036 |
| logD: | 1.9431 |
| logSw: | -3.8667 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.941 |
| InChI Key: | KEUXLTCDNYXNEW-UHFFFAOYSA-N |