methyl 3-nitro-5-{[2-(propan-2-yl)phenyl]carbamoyl}benzoate
Chemical Structure Depiction of
methyl 3-nitro-5-{[2-(propan-2-yl)phenyl]carbamoyl}benzoate
methyl 3-nitro-5-{[2-(propan-2-yl)phenyl]carbamoyl}benzoate
Compound characteristics
| Compound ID: | Y032-0028 |
| Compound Name: | methyl 3-nitro-5-{[2-(propan-2-yl)phenyl]carbamoyl}benzoate |
| Molecular Weight: | 342.35 |
| Molecular Formula: | C18 H18 N2 O5 |
| Smiles: | CC(C)c1ccccc1NC(c1cc(cc(c1)[N+]([O-])=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.943 |
| logD: | 3.9425 |
| logSw: | -4.1162 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.187 |
| InChI Key: | JSJHOOMTZFEJOX-UHFFFAOYSA-N |