methyl 3-[(2-ethyl-6-methylphenyl)carbamoyl]-5-nitrobenzoate
Chemical Structure Depiction of
methyl 3-[(2-ethyl-6-methylphenyl)carbamoyl]-5-nitrobenzoate
methyl 3-[(2-ethyl-6-methylphenyl)carbamoyl]-5-nitrobenzoate
Compound characteristics
| Compound ID: | 4130-4937 |
| Compound Name: | methyl 3-[(2-ethyl-6-methylphenyl)carbamoyl]-5-nitrobenzoate |
| Molecular Weight: | 342.35 |
| Molecular Formula: | C18 H18 N2 O5 |
| Smiles: | CCc1cccc(C)c1NC(c1cc(cc(c1)[N+]([O-])=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6685 |
| logD: | 3.6659 |
| logSw: | -3.8381 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.489 |
| InChI Key: | CUXOUESFBMRBHS-UHFFFAOYSA-N |