5-bromo-N-{3-[(2,3-dihydroxypropyl)sulfanyl]-5-nitrophenyl}furan-2-carboxamide
Chemical Structure Depiction of
5-bromo-N-{3-[(2,3-dihydroxypropyl)sulfanyl]-5-nitrophenyl}furan-2-carboxamide
5-bromo-N-{3-[(2,3-dihydroxypropyl)sulfanyl]-5-nitrophenyl}furan-2-carboxamide
Compound characteristics
| Compound ID: | Y501-5660 |
| Compound Name: | 5-bromo-N-{3-[(2,3-dihydroxypropyl)sulfanyl]-5-nitrophenyl}furan-2-carboxamide |
| Molecular Weight: | 417.23 |
| Molecular Formula: | C14 H13 Br N2 O6 S |
| Smiles: | C(C(CSc1cc(cc(c1)[N+]([O-])=O)NC(c1ccc(o1)[Br])=O)O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4999 |
| logD: | 1.9663 |
| logSw: | -2.9402 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 99.372 |
| InChI Key: | CKMFTOVAMWCQIJ-JTQLQIEISA-N |