methyl 3-{[2-(1,3-benzoxazol-2-yl)-5-chlorophenoxy]sulfonyl}thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-{[2-(1,3-benzoxazol-2-yl)-5-chlorophenoxy]sulfonyl}thiophene-2-carboxylate
methyl 3-{[2-(1,3-benzoxazol-2-yl)-5-chlorophenoxy]sulfonyl}thiophene-2-carboxylate
Compound characteristics
| Compound ID: | V007-7759 |
| Compound Name: | methyl 3-{[2-(1,3-benzoxazol-2-yl)-5-chlorophenoxy]sulfonyl}thiophene-2-carboxylate |
| Molecular Weight: | 449.89 |
| Molecular Formula: | C19 H12 Cl N O6 S2 |
| Smiles: | COC(c1c(ccs1)S(=O)(=O)Oc1cc(ccc1c1nc2ccccc2o1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.9333 |
| logD: | 4.9333 |
| logSw: | -4.939 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 75.089 |
| InChI Key: | HDJDQNDGENYKMZ-UHFFFAOYSA-N |