methyl 3-{[4-methyl-2-(6-methyl-1,3-benzoxazol-2-yl)phenoxy]sulfonyl}thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-{[4-methyl-2-(6-methyl-1,3-benzoxazol-2-yl)phenoxy]sulfonyl}thiophene-2-carboxylate
methyl 3-{[4-methyl-2-(6-methyl-1,3-benzoxazol-2-yl)phenoxy]sulfonyl}thiophene-2-carboxylate
Compound characteristics
| Compound ID: | V027-4450 |
| Compound Name: | methyl 3-{[4-methyl-2-(6-methyl-1,3-benzoxazol-2-yl)phenoxy]sulfonyl}thiophene-2-carboxylate |
| Molecular Weight: | 443.5 |
| Molecular Formula: | C21 H17 N O6 S2 |
| Salt: | not_available |
| Smiles: | Cc1ccc(c(c1)c1nc2ccc(C)cc2o1)OS(c1ccsc1C(=O)OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7069 |
| logD: | 4.7069 |
| logSw: | -4.5884 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 75.089 |
| InChI Key: | YKJCCZXKFCEHLQ-UHFFFAOYSA-N |