methyl 3-(hexylcarbamoyl)-5-nitrobenzoate
Chemical Structure Depiction of
methyl 3-(hexylcarbamoyl)-5-nitrobenzoate
methyl 3-(hexylcarbamoyl)-5-nitrobenzoate
Compound characteristics
| Compound ID: | Y032-0057 |
| Compound Name: | methyl 3-(hexylcarbamoyl)-5-nitrobenzoate |
| Molecular Weight: | 308.33 |
| Molecular Formula: | C15 H20 N2 O5 |
| Smiles: | CCCCCCNC(c1cc(cc(c1)[N+]([O-])=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5404 |
| logD: | 3.5404 |
| logSw: | -3.6136 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.32 |
| InChI Key: | DBRXTKCPKUBZPU-UHFFFAOYSA-N |