2-(5-chloro-1,3-benzoxazol-2-yl)phenyl 2-cyanobenzene-1-sulfonate
Chemical Structure Depiction of
2-(5-chloro-1,3-benzoxazol-2-yl)phenyl 2-cyanobenzene-1-sulfonate
2-(5-chloro-1,3-benzoxazol-2-yl)phenyl 2-cyanobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V018-0899 |
| Compound Name: | 2-(5-chloro-1,3-benzoxazol-2-yl)phenyl 2-cyanobenzene-1-sulfonate |
| Molecular Weight: | 410.83 |
| Molecular Formula: | C20 H11 Cl N2 O4 S |
| Smiles: | C(c1ccccc1S(=O)(=O)Oc1ccccc1c1nc2cc(ccc2o1)[Cl])#N |
| Stereo: | ACHIRAL |
| logP: | 4.2758 |
| logD: | 4.2758 |
| logSw: | -4.6363 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.953 |
| InChI Key: | IQOYAAVVWYLXRW-UHFFFAOYSA-N |