methyl 3-{[2-(1,3-benzoxazol-2-yl)-4-nitrophenoxy]sulfonyl}thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-{[2-(1,3-benzoxazol-2-yl)-4-nitrophenoxy]sulfonyl}thiophene-2-carboxylate
methyl 3-{[2-(1,3-benzoxazol-2-yl)-4-nitrophenoxy]sulfonyl}thiophene-2-carboxylate
Compound characteristics
| Compound ID: | V004-4919 |
| Compound Name: | methyl 3-{[2-(1,3-benzoxazol-2-yl)-4-nitrophenoxy]sulfonyl}thiophene-2-carboxylate |
| Molecular Weight: | 460.44 |
| Molecular Formula: | C19 H12 N2 O8 S2 |
| Smiles: | COC(c1c(ccs1)S(=O)(=O)Oc1ccc(cc1c1nc2ccccc2o1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9322 |
| logD: | 3.9322 |
| logSw: | -4.094 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 108.471 |
| InChI Key: | YUPDSLQYUTVXJU-UHFFFAOYSA-N |