2-[(5,7-dichloro-6-methyl-1,3-benzoxazol-2-yl)sulfanyl]-1-(3,4-dimethoxyphenyl)ethan-1-one
Chemical Structure Depiction of
2-[(5,7-dichloro-6-methyl-1,3-benzoxazol-2-yl)sulfanyl]-1-(3,4-dimethoxyphenyl)ethan-1-one
2-[(5,7-dichloro-6-methyl-1,3-benzoxazol-2-yl)sulfanyl]-1-(3,4-dimethoxyphenyl)ethan-1-one
Compound characteristics
| Compound ID: | 8018-3737 |
| Compound Name: | 2-[(5,7-dichloro-6-methyl-1,3-benzoxazol-2-yl)sulfanyl]-1-(3,4-dimethoxyphenyl)ethan-1-one |
| Molecular Weight: | 412.29 |
| Molecular Formula: | C18 H15 Cl2 N O4 S |
| Smiles: | Cc1c(cc2c(c1[Cl])oc(n2)SCC(c1ccc(c(c1)OC)OC)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.0623 |
| logD: | 5.0623 |
| logSw: | -5.5009 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 45.371 |
| InChI Key: | PTHLAJWTYHCWAM-UHFFFAOYSA-N |