methyl 3-{[2-(1,3-benzoxazol-2-yl)phenoxy]sulfonyl}thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-{[2-(1,3-benzoxazol-2-yl)phenoxy]sulfonyl}thiophene-2-carboxylate
methyl 3-{[2-(1,3-benzoxazol-2-yl)phenoxy]sulfonyl}thiophene-2-carboxylate
Compound characteristics
Compound ID: | V003-4518 |
Compound Name: | methyl 3-{[2-(1,3-benzoxazol-2-yl)phenoxy]sulfonyl}thiophene-2-carboxylate |
Molecular Weight: | 415.44 |
Molecular Formula: | C19 H13 N O6 S2 |
Smiles: | COC(c1c(ccs1)S(=O)(=O)Oc1ccccc1c1nc2ccccc2o1)=O |
Stereo: | ACHIRAL |
logP: | 3.9827 |
logD: | 3.9827 |
logSw: | -4.3223 |
Hydrogen bond acceptors count: | 10 |
Polar surface area: | 75.089 |
InChI Key: | KWFYQIMECRRFPP-UHFFFAOYSA-N |