2-[5-(ethanesulfonyl)-1,3-benzoxazol-2-yl]-4-methylphenyl 2-cyanobenzene-1-sulfonate
Chemical Structure Depiction of
2-[5-(ethanesulfonyl)-1,3-benzoxazol-2-yl]-4-methylphenyl 2-cyanobenzene-1-sulfonate
2-[5-(ethanesulfonyl)-1,3-benzoxazol-2-yl]-4-methylphenyl 2-cyanobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V029-9769 |
| Compound Name: | 2-[5-(ethanesulfonyl)-1,3-benzoxazol-2-yl]-4-methylphenyl 2-cyanobenzene-1-sulfonate |
| Molecular Weight: | 482.53 |
| Molecular Formula: | C23 H18 N2 O6 S2 |
| Salt: | not_available |
| Smiles: | CCS(c1ccc2c(c1)nc(c1cc(C)ccc1OS(c1ccccc1C#N)(=O)=O)o2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3222 |
| logD: | 3.3222 |
| logSw: | -3.6952 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 98.989 |
| InChI Key: | WKWKASSHDOSXMT-UHFFFAOYSA-N |