3-[4-(3,5-dinitrophenoxy)phenyl]-N-[2-(methylsulfanyl)phenyl]propanamide
Chemical Structure Depiction of
3-[4-(3,5-dinitrophenoxy)phenyl]-N-[2-(methylsulfanyl)phenyl]propanamide
3-[4-(3,5-dinitrophenoxy)phenyl]-N-[2-(methylsulfanyl)phenyl]propanamide
Compound characteristics
| Compound ID: | K061-1077 |
| Compound Name: | 3-[4-(3,5-dinitrophenoxy)phenyl]-N-[2-(methylsulfanyl)phenyl]propanamide |
| Molecular Weight: | 453.47 |
| Molecular Formula: | C22 H19 N3 O6 S |
| Smiles: | CSc1ccccc1NC(CCc1ccc(cc1)Oc1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9642 |
| logD: | 4.9641 |
| logSw: | -4.6136 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.929 |
| InChI Key: | ZLCBPVVSAHEYQY-UHFFFAOYSA-N |