N-{2-[4-(methylsulfanyl)phenyl]ethyl}-4H-[1]benzothiopyrano[3,4-d][1,2]oxazole-3-carboxamide
Chemical Structure Depiction of
N-{2-[4-(methylsulfanyl)phenyl]ethyl}-4H-[1]benzothiopyrano[3,4-d][1,2]oxazole-3-carboxamide
N-{2-[4-(methylsulfanyl)phenyl]ethyl}-4H-[1]benzothiopyrano[3,4-d][1,2]oxazole-3-carboxamide
Compound characteristics
| Compound ID: | E146-1069 |
| Compound Name: | N-{2-[4-(methylsulfanyl)phenyl]ethyl}-4H-[1]benzothiopyrano[3,4-d][1,2]oxazole-3-carboxamide |
| Molecular Weight: | 382.5 |
| Molecular Formula: | C20 H18 N2 O2 S2 |
| Smiles: | CSc1ccc(CCNC(c2c3CSc4ccccc4c3on2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.091 |
| logD: | 4.091 |
| logSw: | -4.3348 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.574 |
| InChI Key: | LYLCPLBMUOOUGC-UHFFFAOYSA-N |