methyl {2-[(methoxycarbonyl)amino]-5-nitrobenzene-1-sulfonyl}acetate
Chemical Structure Depiction of
methyl {2-[(methoxycarbonyl)amino]-5-nitrobenzene-1-sulfonyl}acetate
methyl {2-[(methoxycarbonyl)amino]-5-nitrobenzene-1-sulfonyl}acetate
Compound characteristics
| Compound ID: | 8011-9988 |
| Compound Name: | methyl {2-[(methoxycarbonyl)amino]-5-nitrobenzene-1-sulfonyl}acetate |
| Molecular Weight: | 332.29 |
| Molecular Formula: | C11 H12 N2 O8 S |
| Smiles: | COC(CS(c1cc(ccc1NC(=O)OC)[N+]([O-])=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.663 |
| logD: | 0.1186 |
| logSw: | -2.4325 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 114.401 |
| InChI Key: | VWMSCRSTJRDQOP-UHFFFAOYSA-N |