5-[(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)amino]-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
Chemical Structure Depiction of
5-[(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)amino]-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
5-[(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)amino]-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
Compound characteristics
| Compound ID: | E681-0395 |
| Compound Name: | 5-[(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)amino]-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide |
| Molecular Weight: | 479.43 |
| Molecular Formula: | C21 H16 F3 N3 O5 S |
| Smiles: | C1COc2cc(ccc2O1)S(Nc1cc(cnc1)C(Nc1cccc(c1)C(F)(F)F)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1886 |
| logD: | 3.0996 |
| logSw: | -3.3374 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.41 |
| InChI Key: | CMIBWKGESLGBGW-UHFFFAOYSA-N |