2-chloro-4-[5-(ethanesulfonyl)-1,3-benzoxazol-2-yl]phenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
2-chloro-4-[5-(ethanesulfonyl)-1,3-benzoxazol-2-yl]phenyl 4-fluorobenzene-1-sulfonate
2-chloro-4-[5-(ethanesulfonyl)-1,3-benzoxazol-2-yl]phenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V027-8901 |
| Compound Name: | 2-chloro-4-[5-(ethanesulfonyl)-1,3-benzoxazol-2-yl]phenyl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 495.93 |
| Molecular Formula: | C21 H15 Cl F N O6 S2 |
| Salt: | not_available |
| Smiles: | CCS(c1ccc2c(c1)nc(c1ccc(c(c1)[Cl])OS(c1ccc(cc1)F)(=O)=O)o2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0091 |
| logD: | 4.0091 |
| logSw: | -4.527 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 81.933 |
| InChI Key: | NYNQNMRLNAHJIZ-UHFFFAOYSA-N |