methyl 3-nitro-5-[(2,4,6-trimethylphenyl)carbamoyl]benzoate
Chemical Structure Depiction of
methyl 3-nitro-5-[(2,4,6-trimethylphenyl)carbamoyl]benzoate
methyl 3-nitro-5-[(2,4,6-trimethylphenyl)carbamoyl]benzoate
Compound characteristics
| Compound ID: | 4130-5926 |
| Compound Name: | methyl 3-nitro-5-[(2,4,6-trimethylphenyl)carbamoyl]benzoate |
| Molecular Weight: | 342.35 |
| Molecular Formula: | C18 H18 N2 O5 |
| Smiles: | Cc1cc(C)c(c(C)c1)NC(c1cc(cc(c1)[N+]([O-])=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.513 |
| logD: | 3.5036 |
| logSw: | -3.6188 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.489 |
| InChI Key: | JHAFTKCDDPTPIF-UHFFFAOYSA-N |