methyl 3-[(1-methoxypropan-2-yl)carbamoyl]-5-nitrobenzoate
Chemical Structure Depiction of
methyl 3-[(1-methoxypropan-2-yl)carbamoyl]-5-nitrobenzoate
methyl 3-[(1-methoxypropan-2-yl)carbamoyl]-5-nitrobenzoate
Compound characteristics
| Compound ID: | Y032-1607 |
| Compound Name: | methyl 3-[(1-methoxypropan-2-yl)carbamoyl]-5-nitrobenzoate |
| Molecular Weight: | 296.28 |
| Molecular Formula: | C13 H16 N2 O6 |
| Smiles: | CC(COC)NC(c1cc(cc(c1)[N+]([O-])=O)C(=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.4212 |
| logD: | 1.4212 |
| logSw: | -2.0125 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.344 |
| InChI Key: | VRNCNFCVIZBIDN-QMMMGPOBSA-N |