ethyl 3-nitro-4-[(2-phenylethyl)amino]benzoate
Chemical Structure Depiction of
ethyl 3-nitro-4-[(2-phenylethyl)amino]benzoate
ethyl 3-nitro-4-[(2-phenylethyl)amino]benzoate
Compound characteristics
| Compound ID: | K781-0080 |
| Compound Name: | ethyl 3-nitro-4-[(2-phenylethyl)amino]benzoate |
| Molecular Weight: | 314.34 |
| Molecular Formula: | C17 H18 N2 O4 |
| Smiles: | CCOC(c1ccc(c(c1)[N+]([O-])=O)NCCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0855 |
| logD: | 4.0855 |
| logSw: | -4.2409 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.451 |
| InChI Key: | VLLMBXXMLLODTF-UHFFFAOYSA-N |