5,7-dimethyl-2-[4-(methylsulfanyl)phenyl]-1,3-benzoxazole
Chemical Structure Depiction of
5,7-dimethyl-2-[4-(methylsulfanyl)phenyl]-1,3-benzoxazole
5,7-dimethyl-2-[4-(methylsulfanyl)phenyl]-1,3-benzoxazole
Compound characteristics
| Compound ID: | V017-1143 |
| Compound Name: | 5,7-dimethyl-2-[4-(methylsulfanyl)phenyl]-1,3-benzoxazole |
| Molecular Weight: | 269.36 |
| Molecular Formula: | C16 H15 N O S |
| Salt: | not_available |
| Smiles: | Cc1cc(C)c2c(c1)nc(c1ccc(cc1)SC)o2 |
| Stereo: | ACHIRAL |
| logP: | 5.1546 |
| logD: | 5.1546 |
| logSw: | -5.1482 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 17.2817 |
| InChI Key: | VMCUZTVCOVQCDE-UHFFFAOYSA-N |