N-[3-(methylsulfanyl)phenyl]-4H-[1]benzothiopyrano[3,4-d][1,2]oxazole-3-carboxamide
Chemical Structure Depiction of
N-[3-(methylsulfanyl)phenyl]-4H-[1]benzothiopyrano[3,4-d][1,2]oxazole-3-carboxamide
N-[3-(methylsulfanyl)phenyl]-4H-[1]benzothiopyrano[3,4-d][1,2]oxazole-3-carboxamide
Compound characteristics
| Compound ID: | E146-0963 |
| Compound Name: | N-[3-(methylsulfanyl)phenyl]-4H-[1]benzothiopyrano[3,4-d][1,2]oxazole-3-carboxamide |
| Molecular Weight: | 354.45 |
| Molecular Formula: | C18 H14 N2 O2 S2 |
| Smiles: | CSc1cccc(c1)NC(c1c2CSc3ccccc3c2on1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3078 |
| logD: | 4.3078 |
| logSw: | -4.4006 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.41 |
| InChI Key: | JJJROOMRINYFJV-UHFFFAOYSA-N |