2-[5-(ethanesulfonyl)-1,3-benzoxazol-2-yl]phenyl 2,4-dichlorobenzene-1-sulfonate
Chemical Structure Depiction of
2-[5-(ethanesulfonyl)-1,3-benzoxazol-2-yl]phenyl 2,4-dichlorobenzene-1-sulfonate
2-[5-(ethanesulfonyl)-1,3-benzoxazol-2-yl]phenyl 2,4-dichlorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V029-9709 |
| Compound Name: | 2-[5-(ethanesulfonyl)-1,3-benzoxazol-2-yl]phenyl 2,4-dichlorobenzene-1-sulfonate |
| Molecular Weight: | 512.39 |
| Molecular Formula: | C21 H15 Cl2 N O6 S2 |
| Salt: | not_available |
| Smiles: | CCS(c1ccc2c(c1)nc(c1ccccc1OS(c1ccc(cc1[Cl])[Cl])(=O)=O)o2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4388 |
| logD: | 4.4388 |
| logSw: | -4.5628 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 81.933 |
| InChI Key: | NFFFHORYURNMAQ-UHFFFAOYSA-N |