methyl 3-(butylcarbamoyl)-5-nitrobenzoate
Chemical Structure Depiction of
methyl 3-(butylcarbamoyl)-5-nitrobenzoate
methyl 3-(butylcarbamoyl)-5-nitrobenzoate
Compound characteristics
| Compound ID: | Y032-0056 |
| Compound Name: | methyl 3-(butylcarbamoyl)-5-nitrobenzoate |
| Molecular Weight: | 280.28 |
| Molecular Formula: | C13 H16 N2 O5 |
| Smiles: | CCCCNC(c1cc(cc(c1)[N+]([O-])=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6156 |
| logD: | 2.6155 |
| logSw: | -2.817 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.32 |
| InChI Key: | FQYCJQCBPOHPMQ-UHFFFAOYSA-N |