ethyl 2-({4-[5-(ethanesulfonyl)-1,3-benzoxazol-2-yl]-2-nitrophenoxy}sulfonyl)benzoate
Chemical Structure Depiction of
ethyl 2-({4-[5-(ethanesulfonyl)-1,3-benzoxazol-2-yl]-2-nitrophenoxy}sulfonyl)benzoate
ethyl 2-({4-[5-(ethanesulfonyl)-1,3-benzoxazol-2-yl]-2-nitrophenoxy}sulfonyl)benzoate
Compound characteristics
| Compound ID: | V030-7035 |
| Compound Name: | ethyl 2-({4-[5-(ethanesulfonyl)-1,3-benzoxazol-2-yl]-2-nitrophenoxy}sulfonyl)benzoate |
| Molecular Weight: | 560.56 |
| Molecular Formula: | C24 H20 N2 O10 S2 |
| Salt: | not_available |
| Smiles: | CCOC(c1ccccc1S(=O)(=O)Oc1ccc(cc1[N+]([O-])=O)c1nc2cc(ccc2o1)S(CC)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3275 |
| logD: | 3.3275 |
| logSw: | -3.9965 |
| Hydrogen bond acceptors count: | 18 |
| Polar surface area: | 135.767 |
| InChI Key: | QGMXLYWNUTWPFW-UHFFFAOYSA-N |