N-{3-[(2-hydroxyethyl)sulfanyl]-5-nitrophenyl}furan-2-carboxamide
Chemical Structure Depiction of
N-{3-[(2-hydroxyethyl)sulfanyl]-5-nitrophenyl}furan-2-carboxamide
N-{3-[(2-hydroxyethyl)sulfanyl]-5-nitrophenyl}furan-2-carboxamide
Compound characteristics
| Compound ID: | Y501-4727 |
| Compound Name: | N-{3-[(2-hydroxyethyl)sulfanyl]-5-nitrophenyl}furan-2-carboxamide |
| Molecular Weight: | 308.31 |
| Molecular Formula: | C13 H12 N2 O5 S |
| Smiles: | C(CSc1cc(cc(c1)[N+]([O-])=O)NC(c1ccco1)=O)O |
| Stereo: | ACHIRAL |
| logP: | 1.955 |
| logD: | 1.94 |
| logSw: | -2.7043 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.945 |
| InChI Key: | IXLFDRFIFRYMKV-UHFFFAOYSA-N |