methyl ({2-[(methoxycarbonyl)amino]-5-nitrophenyl}sulfanyl)acetate
Chemical Structure Depiction of
methyl ({2-[(methoxycarbonyl)amino]-5-nitrophenyl}sulfanyl)acetate
methyl ({2-[(methoxycarbonyl)amino]-5-nitrophenyl}sulfanyl)acetate
Compound characteristics
| Compound ID: | 8011-6659 |
| Compound Name: | methyl ({2-[(methoxycarbonyl)amino]-5-nitrophenyl}sulfanyl)acetate |
| Molecular Weight: | 300.29 |
| Molecular Formula: | C11 H12 N2 O6 S |
| Smiles: | COC(CSc1cc(ccc1NC(=O)OC)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6138 |
| logD: | 1.5802 |
| logSw: | -2.5275 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.365 |
| InChI Key: | NOOYUYODEJKREE-UHFFFAOYSA-N |