methyl 3-[(2H-1,3-benzodioxol-5-yl)carbamoyl]-5-nitrobenzoate
Chemical Structure Depiction of
methyl 3-[(2H-1,3-benzodioxol-5-yl)carbamoyl]-5-nitrobenzoate
methyl 3-[(2H-1,3-benzodioxol-5-yl)carbamoyl]-5-nitrobenzoate
Compound characteristics
| Compound ID: | Y032-3553 |
| Compound Name: | methyl 3-[(2H-1,3-benzodioxol-5-yl)carbamoyl]-5-nitrobenzoate |
| Molecular Weight: | 344.28 |
| Molecular Formula: | C16 H12 N2 O7 |
| Smiles: | COC(c1cc(cc(c1)[N+]([O-])=O)C(Nc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9702 |
| logD: | 2.9244 |
| logSw: | -3.5221 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95 |
| InChI Key: | UQCSPRGKATWWLV-UHFFFAOYSA-N |