methyl 3-nitro-5-{[(oxolan-2-yl)methyl]carbamoyl}benzoate
Chemical Structure Depiction of
methyl 3-nitro-5-{[(oxolan-2-yl)methyl]carbamoyl}benzoate
methyl 3-nitro-5-{[(oxolan-2-yl)methyl]carbamoyl}benzoate
Compound characteristics
| Compound ID: | Y032-0051 |
| Compound Name: | methyl 3-nitro-5-{[(oxolan-2-yl)methyl]carbamoyl}benzoate |
| Molecular Weight: | 308.29 |
| Molecular Formula: | C14 H16 N2 O6 |
| Smiles: | COC(c1cc(cc(c1)[N+]([O-])=O)C(NCC1CCCO1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3536 |
| logD: | 1.3536 |
| logSw: | -2.0336 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.862 |
| InChI Key: | WDFMNNPFDGBHGU-GFCCVEGCSA-N |