2-[4-(methylsulfanyl)phenyl]-6-(2,3,4-trimethoxyphenyl)-1,3-benzoxazole
Chemical Structure Depiction of
2-[4-(methylsulfanyl)phenyl]-6-(2,3,4-trimethoxyphenyl)-1,3-benzoxazole
2-[4-(methylsulfanyl)phenyl]-6-(2,3,4-trimethoxyphenyl)-1,3-benzoxazole
Compound characteristics
| Compound ID: | V007-3216 |
| Compound Name: | 2-[4-(methylsulfanyl)phenyl]-6-(2,3,4-trimethoxyphenyl)-1,3-benzoxazole |
| Molecular Weight: | 407.49 |
| Molecular Formula: | C23 H21 N O4 S |
| Smiles: | COc1ccc(c2ccc3c(c2)oc(c2ccc(cc2)SC)n3)c(c1OC)OC |
| Stereo: | ACHIRAL |
| logP: | 5.8311 |
| logD: | 5.8311 |
| logSw: | -5.7725 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 39.842 |
| InChI Key: | CEUFGIZKCWCHCH-UHFFFAOYSA-N |