methyl 3-nitro-5-[(2-oxothiolan-3-yl)carbamoyl]benzoate
Chemical Structure Depiction of
methyl 3-nitro-5-[(2-oxothiolan-3-yl)carbamoyl]benzoate
methyl 3-nitro-5-[(2-oxothiolan-3-yl)carbamoyl]benzoate
Compound characteristics
| Compound ID: | 3138-0467 |
| Compound Name: | methyl 3-nitro-5-[(2-oxothiolan-3-yl)carbamoyl]benzoate |
| Molecular Weight: | 324.31 |
| Molecular Formula: | C13 H12 N2 O6 S |
| Smiles: | COC(c1cc(cc(c1)[N+]([O-])=O)C(NC1CCSC1=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3806 |
| logD: | 1.0748 |
| logSw: | -2.3068 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.761 |
| InChI Key: | MNEWINCQCNCJLD-SNVBAGLBSA-N |