methyl 3-[(2,4-dimethylphenyl)carbamoyl]-5-nitrobenzoate
Chemical Structure Depiction of
methyl 3-[(2,4-dimethylphenyl)carbamoyl]-5-nitrobenzoate
methyl 3-[(2,4-dimethylphenyl)carbamoyl]-5-nitrobenzoate
Compound characteristics
| Compound ID: | Y032-0083 |
| Compound Name: | methyl 3-[(2,4-dimethylphenyl)carbamoyl]-5-nitrobenzoate |
| Molecular Weight: | 328.32 |
| Molecular Formula: | C17 H16 N2 O5 |
| Smiles: | Cc1ccc(c(C)c1)NC(c1cc(cc(c1)[N+]([O-])=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.818 |
| logD: | 3.8125 |
| logSw: | -3.9755 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.187 |
| InChI Key: | LWKFZLKQRNRJDN-UHFFFAOYSA-N |