methyl 3-[(4-cyanophenyl)carbamoyl]-5-nitrobenzoate
Chemical Structure Depiction of
methyl 3-[(4-cyanophenyl)carbamoyl]-5-nitrobenzoate
methyl 3-[(4-cyanophenyl)carbamoyl]-5-nitrobenzoate
Compound characteristics
| Compound ID: | Y032-0520 |
| Compound Name: | methyl 3-[(4-cyanophenyl)carbamoyl]-5-nitrobenzoate |
| Molecular Weight: | 325.28 |
| Molecular Formula: | C16 H11 N3 O5 |
| Smiles: | COC(c1cc(cc(c1)[N+]([O-])=O)C(Nc1ccc(C#N)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7916 |
| logD: | 2.4991 |
| logSw: | -3.5934 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.941 |
| InChI Key: | OSFMDVGYJWXPQB-UHFFFAOYSA-N |