methyl 3-[(2,6-diethylphenyl)carbamoyl]-5-nitrobenzoate
Chemical Structure Depiction of
methyl 3-[(2,6-diethylphenyl)carbamoyl]-5-nitrobenzoate
methyl 3-[(2,6-diethylphenyl)carbamoyl]-5-nitrobenzoate
Compound characteristics
| Compound ID: | Y032-3514 |
| Compound Name: | methyl 3-[(2,6-diethylphenyl)carbamoyl]-5-nitrobenzoate |
| Molecular Weight: | 356.38 |
| Molecular Formula: | C19 H20 N2 O5 |
| Smiles: | CCc1cccc(CC)c1NC(c1cc(cc(c1)[N+]([O-])=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0616 |
| logD: | 4.0607 |
| logSw: | -4.1217 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.489 |
| InChI Key: | PFBKTVVTSRVHRY-UHFFFAOYSA-N |