2-(5-chloro-1,3-benzoxazol-2-yl)-4-methylphenyl 2-cyanobenzene-1-sulfonate
Chemical Structure Depiction of
2-(5-chloro-1,3-benzoxazol-2-yl)-4-methylphenyl 2-cyanobenzene-1-sulfonate
2-(5-chloro-1,3-benzoxazol-2-yl)-4-methylphenyl 2-cyanobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V027-4477 |
| Compound Name: | 2-(5-chloro-1,3-benzoxazol-2-yl)-4-methylphenyl 2-cyanobenzene-1-sulfonate |
| Molecular Weight: | 424.86 |
| Molecular Formula: | C21 H13 Cl N2 O4 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(c(c1)c1nc2cc(ccc2o1)[Cl])OS(c1ccccc1C#N)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7121 |
| logD: | 4.7121 |
| logSw: | -4.8053 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.953 |
| InChI Key: | CNURSHGHVRDTCJ-UHFFFAOYSA-N |