4-[5-(ethanesulfonyl)-1,3-benzoxazol-2-yl]-2-nitrophenyl 2,3-dichlorobenzene-1-sulfonate
Chemical Structure Depiction of
4-[5-(ethanesulfonyl)-1,3-benzoxazol-2-yl]-2-nitrophenyl 2,3-dichlorobenzene-1-sulfonate
4-[5-(ethanesulfonyl)-1,3-benzoxazol-2-yl]-2-nitrophenyl 2,3-dichlorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V030-7036 |
| Compound Name: | 4-[5-(ethanesulfonyl)-1,3-benzoxazol-2-yl]-2-nitrophenyl 2,3-dichlorobenzene-1-sulfonate |
| Molecular Weight: | 557.38 |
| Molecular Formula: | C21 H14 Cl2 N2 O8 S2 |
| Salt: | not_available |
| Smiles: | CCS(c1ccc2c(c1)nc(c1ccc(c(c1)[N+]([O-])=O)OS(c1cccc(c1[Cl])[Cl])(=O)=O)o2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1754 |
| logD: | 4.1754 |
| logSw: | -4.7472 |
| Hydrogen bond acceptors count: | 15 |
| Polar surface area: | 115.014 |
| InChI Key: | PQVVPAFTXVDKPQ-UHFFFAOYSA-N |