5-chloro-2-(5-chloro-1,3-benzoxazol-2-yl)phenyl propane-1-sulfonate
Chemical Structure Depiction of
5-chloro-2-(5-chloro-1,3-benzoxazol-2-yl)phenyl propane-1-sulfonate
5-chloro-2-(5-chloro-1,3-benzoxazol-2-yl)phenyl propane-1-sulfonate
Compound characteristics
| Compound ID: | V029-9623 |
| Compound Name: | 5-chloro-2-(5-chloro-1,3-benzoxazol-2-yl)phenyl propane-1-sulfonate |
| Molecular Weight: | 386.25 |
| Molecular Formula: | C16 H13 Cl2 N O4 S |
| Smiles: | CCCS(=O)(=O)Oc1cc(ccc1c1nc2cc(ccc2o1)[Cl])[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.9333 |
| logD: | 4.9333 |
| logSw: | -4.9206 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.244 |
| InChI Key: | BTPJMFJTJINADE-UHFFFAOYSA-N |