methyl 3-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}-5-nitrobenzoate
Chemical Structure Depiction of
methyl 3-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}-5-nitrobenzoate
methyl 3-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}-5-nitrobenzoate
Compound characteristics
| Compound ID: | Y032-1613 |
| Compound Name: | methyl 3-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}-5-nitrobenzoate |
| Molecular Weight: | 358.31 |
| Molecular Formula: | C17 H14 N2 O7 |
| Smiles: | COC(c1cc(cc(c1)[N+]([O-])=O)C(NCc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7161 |
| logD: | 2.7161 |
| logSw: | -3.1773 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.323 |
| InChI Key: | WVNFQGQZNJWQDI-UHFFFAOYSA-N |