methyl 3-{[2-(5-chloro-1,3-benzoxazol-2-yl)phenoxy]sulfonyl}thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-{[2-(5-chloro-1,3-benzoxazol-2-yl)phenoxy]sulfonyl}thiophene-2-carboxylate
methyl 3-{[2-(5-chloro-1,3-benzoxazol-2-yl)phenoxy]sulfonyl}thiophene-2-carboxylate
Compound characteristics
| Compound ID: | V007-7733 |
| Compound Name: | methyl 3-{[2-(5-chloro-1,3-benzoxazol-2-yl)phenoxy]sulfonyl}thiophene-2-carboxylate |
| Molecular Weight: | 449.89 |
| Molecular Formula: | C19 H12 Cl N O6 S2 |
| Smiles: | COC(c1c(ccs1)S(=O)(=O)Oc1ccccc1c1nc2cc(ccc2o1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.4182 |
| logD: | 4.4182 |
| logSw: | -4.6632 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 75.089 |
| InChI Key: | JJKJIGQFIRKOQF-UHFFFAOYSA-N |