N-(2,5-dimethylbenzene-1-sulfonyl)-N-(2-oxo-2H-1,3-benzoxathiol-5-yl)pyridine-3-carboxamide
Chemical Structure Depiction of
N-(2,5-dimethylbenzene-1-sulfonyl)-N-(2-oxo-2H-1,3-benzoxathiol-5-yl)pyridine-3-carboxamide
N-(2,5-dimethylbenzene-1-sulfonyl)-N-(2-oxo-2H-1,3-benzoxathiol-5-yl)pyridine-3-carboxamide
Compound characteristics
| Compound ID: | 6807-0881 |
| Compound Name: | N-(2,5-dimethylbenzene-1-sulfonyl)-N-(2-oxo-2H-1,3-benzoxathiol-5-yl)pyridine-3-carboxamide |
| Molecular Weight: | 440.5 |
| Molecular Formula: | C21 H16 N2 O5 S2 |
| Smiles: | Cc1ccc(C)c(c1)S(N(C(c1cccnc1)=O)c1ccc2c(c1)SC(=O)O2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3838 |
| logD: | 3.3838 |
| logSw: | -3.5849 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 77.136 |
| InChI Key: | VVAAJLJOQVDCGD-UHFFFAOYSA-N |