N-(2-oxo-2H-1,3-benzoxathiol-5-yl)-N-(2,4,6-trimethylbenzene-1-sulfonyl)cyclohexanecarboxamide
Chemical Structure Depiction of
N-(2-oxo-2H-1,3-benzoxathiol-5-yl)-N-(2,4,6-trimethylbenzene-1-sulfonyl)cyclohexanecarboxamide
N-(2-oxo-2H-1,3-benzoxathiol-5-yl)-N-(2,4,6-trimethylbenzene-1-sulfonyl)cyclohexanecarboxamide
Compound characteristics
| Compound ID: | 6807-0986 |
| Compound Name: | N-(2-oxo-2H-1,3-benzoxathiol-5-yl)-N-(2,4,6-trimethylbenzene-1-sulfonyl)cyclohexanecarboxamide |
| Molecular Weight: | 459.58 |
| Molecular Formula: | C23 H25 N O5 S2 |
| Smiles: | Cc1cc(C)c(c(C)c1)S(N(C(C1CCCCC1)=O)c1ccc2c(c1)SC(=O)O2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6191 |
| logD: | 5.6191 |
| logSw: | -5.2523 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 67.811 |
| InChI Key: | JWKZWJVEKLBTIG-UHFFFAOYSA-N |