methyl {2-[(methoxycarbonyl)amino]-3,5-dinitrobenzene-1-sulfonyl}acetate
Chemical Structure Depiction of
methyl {2-[(methoxycarbonyl)amino]-3,5-dinitrobenzene-1-sulfonyl}acetate
methyl {2-[(methoxycarbonyl)amino]-3,5-dinitrobenzene-1-sulfonyl}acetate
Compound characteristics
Compound ID: | 8009-9862 |
Compound Name: | methyl {2-[(methoxycarbonyl)amino]-3,5-dinitrobenzene-1-sulfonyl}acetate |
Molecular Weight: | 377.28 |
Molecular Formula: | C11 H11 N3 O10 S |
Smiles: | COC(CS(c1cc(cc(c1NC(=O)OC)[N+]([O-])=O)[N+]([O-])=O)(=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 0.2505 |
logD: | -4.0005 |
logSw: | -2.4322 |
Hydrogen bond acceptors count: | 18 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 146.784 |
InChI Key: | HOOCDOATHIQKMT-UHFFFAOYSA-N |