methyl 3-(tert-butylcarbamoyl)-5-nitrobenzoate
Chemical Structure Depiction of
methyl 3-(tert-butylcarbamoyl)-5-nitrobenzoate
methyl 3-(tert-butylcarbamoyl)-5-nitrobenzoate
Compound characteristics
| Compound ID: | Y032-0055 |
| Compound Name: | methyl 3-(tert-butylcarbamoyl)-5-nitrobenzoate |
| Molecular Weight: | 280.28 |
| Molecular Formula: | C13 H16 N2 O5 |
| Smiles: | CC(C)(C)NC(c1cc(cc(c1)[N+]([O-])=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5758 |
| logD: | 2.5758 |
| logSw: | -2.8332 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.302 |
| InChI Key: | HZRKEYWBQXIMCV-UHFFFAOYSA-N |