ethyl [(4-{[(furan-2-yl)methyl]carbamoyl}-2-nitrophenyl)sulfanyl]acetate
Chemical Structure Depiction of
ethyl [(4-{[(furan-2-yl)methyl]carbamoyl}-2-nitrophenyl)sulfanyl]acetate
ethyl [(4-{[(furan-2-yl)methyl]carbamoyl}-2-nitrophenyl)sulfanyl]acetate
Compound characteristics
Compound ID: | K781-2467 |
Compound Name: | ethyl [(4-{[(furan-2-yl)methyl]carbamoyl}-2-nitrophenyl)sulfanyl]acetate |
Molecular Weight: | 364.37 |
Molecular Formula: | C16 H16 N2 O6 S |
Smiles: | CCOC(CSc1ccc(cc1[N+]([O-])=O)C(NCc1ccco1)=O)=O |
Stereo: | ACHIRAL |
logP: | 3.0677 |
logD: | 3.0673 |
logSw: | -3.5406 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 85.64 |
InChI Key: | FYILVRIRQLUWDG-UHFFFAOYSA-N |