methyl 3-nitro-5-[(pentan-2-yl)carbamoyl]benzoate
Chemical Structure Depiction of
methyl 3-nitro-5-[(pentan-2-yl)carbamoyl]benzoate
methyl 3-nitro-5-[(pentan-2-yl)carbamoyl]benzoate
Compound characteristics
| Compound ID: | Y032-0664 |
| Compound Name: | methyl 3-nitro-5-[(pentan-2-yl)carbamoyl]benzoate |
| Molecular Weight: | 294.3 |
| Molecular Formula: | C14 H18 N2 O5 |
| Smiles: | CCCC(C)NC(c1cc(cc(c1)[N+]([O-])=O)C(=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8087 |
| logD: | 2.8087 |
| logSw: | -3.2688 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.92 |
| InChI Key: | MORNFVRCBGZSAH-VIFPVBQESA-N |