N-{3-[(2,3-dihydroxypropyl)sulfanyl]-5-nitrophenyl}propanamide
Chemical Structure Depiction of
N-{3-[(2,3-dihydroxypropyl)sulfanyl]-5-nitrophenyl}propanamide
N-{3-[(2,3-dihydroxypropyl)sulfanyl]-5-nitrophenyl}propanamide
Compound characteristics
| Compound ID: | Y501-5659 |
| Compound Name: | N-{3-[(2,3-dihydroxypropyl)sulfanyl]-5-nitrophenyl}propanamide |
| Molecular Weight: | 300.33 |
| Molecular Formula: | C12 H16 N2 O5 S |
| Smiles: | CCC(Nc1cc(cc(c1)SCC(CO)O)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.2406 |
| logD: | 1.2392 |
| logSw: | -2.3704 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 90.504 |
| InChI Key: | YFLCQNSFXRWXDO-JTQLQIEISA-N |