5-chloro-2-[5-(ethanesulfonyl)-1,3-benzoxazol-2-yl]phenyl methanesulfonate
Chemical Structure Depiction of
5-chloro-2-[5-(ethanesulfonyl)-1,3-benzoxazol-2-yl]phenyl methanesulfonate
5-chloro-2-[5-(ethanesulfonyl)-1,3-benzoxazol-2-yl]phenyl methanesulfonate
Compound characteristics
| Compound ID: | V024-8365 |
| Compound Name: | 5-chloro-2-[5-(ethanesulfonyl)-1,3-benzoxazol-2-yl]phenyl methanesulfonate |
| Molecular Weight: | 415.87 |
| Molecular Formula: | C16 H14 Cl N O6 S2 |
| Smiles: | CCS(c1ccc2c(c1)nc(c1ccc(cc1OS(C)(=O)=O)[Cl])o2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8333 |
| logD: | 2.8333 |
| logSw: | -3.5831 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 82.321 |
| InChI Key: | NPNKLDUENOJVKE-UHFFFAOYSA-N |