methyl 3-(diethylcarbamoyl)-5-nitrobenzoate
Chemical Structure Depiction of
methyl 3-(diethylcarbamoyl)-5-nitrobenzoate
methyl 3-(diethylcarbamoyl)-5-nitrobenzoate
Compound characteristics
| Compound ID: | Y032-0059 |
| Compound Name: | methyl 3-(diethylcarbamoyl)-5-nitrobenzoate |
| Molecular Weight: | 280.28 |
| Molecular Formula: | C13 H16 N2 O5 |
| Smiles: | CCN(CC)C(c1cc(cc(c1)[N+]([O-])=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8031 |
| logD: | 1.8031 |
| logSw: | -1.8201 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.726 |
| InChI Key: | UQABZXXYFFMJLL-UHFFFAOYSA-N |