methyl 3-nitro-5-[(4-phenylbutan-2-yl)carbamoyl]benzoate
Chemical Structure Depiction of
methyl 3-nitro-5-[(4-phenylbutan-2-yl)carbamoyl]benzoate
methyl 3-nitro-5-[(4-phenylbutan-2-yl)carbamoyl]benzoate
Compound characteristics
| Compound ID: | Y032-1969 |
| Compound Name: | methyl 3-nitro-5-[(4-phenylbutan-2-yl)carbamoyl]benzoate |
| Molecular Weight: | 356.38 |
| Molecular Formula: | C19 H20 N2 O5 |
| Smiles: | CC(CCc1ccccc1)NC(c1cc(cc(c1)[N+]([O-])=O)C(=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5612 |
| logD: | 3.5612 |
| logSw: | -3.8895 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.648 |
| InChI Key: | AWSGZCGUYDNFRE-ZDUSSCGKSA-N |