N-(2-oxo-2H-1,3-benzoxathiol-5-yl)-N-[4-(propan-2-yl)benzene-1-sulfonyl]pyridine-4-carboxamide
Chemical Structure Depiction of
N-(2-oxo-2H-1,3-benzoxathiol-5-yl)-N-[4-(propan-2-yl)benzene-1-sulfonyl]pyridine-4-carboxamide
N-(2-oxo-2H-1,3-benzoxathiol-5-yl)-N-[4-(propan-2-yl)benzene-1-sulfonyl]pyridine-4-carboxamide
Compound characteristics
| Compound ID: | 6807-0847 |
| Compound Name: | N-(2-oxo-2H-1,3-benzoxathiol-5-yl)-N-[4-(propan-2-yl)benzene-1-sulfonyl]pyridine-4-carboxamide |
| Molecular Weight: | 454.52 |
| Molecular Formula: | C22 H18 N2 O5 S2 |
| Smiles: | CC(C)c1ccc(cc1)S(N(C(c1ccncc1)=O)c1ccc2c(c1)SC(=O)O2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9793 |
| logD: | 3.9793 |
| logSw: | -4.0014 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 77.047 |
| InChI Key: | XHIVLIFXQTYQND-UHFFFAOYSA-N |