N-{3-[(2-hydroxyethyl)sulfanyl]-5-nitrophenyl}propanamide
Chemical Structure Depiction of
N-{3-[(2-hydroxyethyl)sulfanyl]-5-nitrophenyl}propanamide
N-{3-[(2-hydroxyethyl)sulfanyl]-5-nitrophenyl}propanamide
Compound characteristics
| Compound ID: | Y501-5665 |
| Compound Name: | N-{3-[(2-hydroxyethyl)sulfanyl]-5-nitrophenyl}propanamide |
| Molecular Weight: | 270.3 |
| Molecular Formula: | C11 H14 N2 O4 S |
| Smiles: | CCC(Nc1cc(cc(c1)SCCO)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5605 |
| logD: | 1.5592 |
| logSw: | -2.3965 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.425 |
| InChI Key: | RBJACNFURDNSJH-UHFFFAOYSA-N |