methyl ({2-[(methoxycarbonyl)amino]-3,5-dinitrophenyl}sulfanyl)acetate
Chemical Structure Depiction of
methyl ({2-[(methoxycarbonyl)amino]-3,5-dinitrophenyl}sulfanyl)acetate
methyl ({2-[(methoxycarbonyl)amino]-3,5-dinitrophenyl}sulfanyl)acetate
Compound characteristics
| Compound ID: | 8009-9628 |
| Compound Name: | methyl ({2-[(methoxycarbonyl)amino]-3,5-dinitrophenyl}sulfanyl)acetate |
| Molecular Weight: | 345.28 |
| Molecular Formula: | C11 H11 N3 O8 S |
| Smiles: | COC(CSc1cc(cc(c1NC(=O)OC)[N+]([O-])=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2014 |
| logD: | -1.5586 |
| logSw: | -2.5007 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 117.748 |
| InChI Key: | PEQASFOFFXMBEQ-UHFFFAOYSA-N |