methyl 4-[(1-methoxy-3-methyl-1-oxobutan-2-yl)amino]-3-nitrobenzoate
Chemical Structure Depiction of
methyl 4-[(1-methoxy-3-methyl-1-oxobutan-2-yl)amino]-3-nitrobenzoate
methyl 4-[(1-methoxy-3-methyl-1-oxobutan-2-yl)amino]-3-nitrobenzoate
Compound characteristics
| Compound ID: | K783-4426 |
| Compound Name: | methyl 4-[(1-methoxy-3-methyl-1-oxobutan-2-yl)amino]-3-nitrobenzoate |
| Molecular Weight: | 310.3 |
| Molecular Formula: | C14 H18 N2 O6 |
| Smiles: | CC(C)C(C(=O)OC)Nc1ccc(cc1[N+]([O-])=O)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1606 |
| logD: | 3.1606 |
| logSw: | -3.5202 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.827 |
| InChI Key: | RUJXDFJNMARSGE-LBPRGKRZSA-N |