2-chloro-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl 2-cyanobenzene-1-sulfonate
Chemical Structure Depiction of
2-chloro-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl 2-cyanobenzene-1-sulfonate
2-chloro-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl 2-cyanobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V023-0430 |
| Compound Name: | 2-chloro-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl 2-cyanobenzene-1-sulfonate |
| Molecular Weight: | 424.86 |
| Molecular Formula: | C21 H13 Cl N2 O4 S |
| Smiles: | Cc1ccc2c(c1)nc(c1ccc(c(c1)[Cl])OS(c1ccccc1C#N)(=O)=O)o2 |
| Stereo: | ACHIRAL |
| logP: | 4.5322 |
| logD: | 4.5322 |
| logSw: | -4.6575 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.953 |
| InChI Key: | BMDUGVRDXNMIOD-UHFFFAOYSA-N |