methyl 4-[(3-methoxy-3-oxopropyl)sulfanyl]-3-nitrobenzoate
Chemical Structure Depiction of
methyl 4-[(3-methoxy-3-oxopropyl)sulfanyl]-3-nitrobenzoate
methyl 4-[(3-methoxy-3-oxopropyl)sulfanyl]-3-nitrobenzoate
Compound characteristics
| Compound ID: | C799-0441 |
| Compound Name: | methyl 4-[(3-methoxy-3-oxopropyl)sulfanyl]-3-nitrobenzoate |
| Molecular Weight: | 299.3 |
| Molecular Formula: | C12 H13 N O6 S |
| Smiles: | COC(CCSc1ccc(cc1[N+]([O-])=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7043 |
| logD: | 2.7043 |
| logSw: | -3.1658 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 75.072 |
| InChI Key: | XYRFGRPUSVXKBF-UHFFFAOYSA-N |