2-[5-(ethanesulfonyl)-1,3-benzoxazol-2-yl]-4-nitrophenyl 4-methylbenzene-1-sulfonate
Chemical Structure Depiction of
2-[5-(ethanesulfonyl)-1,3-benzoxazol-2-yl]-4-nitrophenyl 4-methylbenzene-1-sulfonate
2-[5-(ethanesulfonyl)-1,3-benzoxazol-2-yl]-4-nitrophenyl 4-methylbenzene-1-sulfonate
Compound characteristics
| Compound ID: | V025-9847 |
| Compound Name: | 2-[5-(ethanesulfonyl)-1,3-benzoxazol-2-yl]-4-nitrophenyl 4-methylbenzene-1-sulfonate |
| Molecular Weight: | 502.52 |
| Molecular Formula: | C22 H18 N2 O8 S2 |
| Salt: | not_available |
| Smiles: | CCS(c1ccc2c(c1)nc(c1cc(ccc1OS(c1ccc(C)cc1)(=O)=O)[N+]([O-])=O)o2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8764 |
| logD: | 3.8764 |
| logSw: | -4.0174 |
| Hydrogen bond acceptors count: | 15 |
| Polar surface area: | 115.315 |
| InChI Key: | LLBBPKHDTNYCQA-UHFFFAOYSA-N |