Compound Summary
Compound Information
Benoxathian hydrochloride
Compound Name: | Benoxathian hydrochloride |
Compound CID: | 10386130 |
Synonyms: | Benoxathian hydrochloride |
Iupac Name: | N-(2,3-dihydro-1,4-benzoxathiin-2-ylmethyl)-2-(2,6-dimethoxyphenoxy)ethanamine;hydrochloride |
InChI: | InChI=1S/C19H23NO4S.ClH/c1-21-16-7-5-8-17(22-2)19(16)23-11-10-20-12-14-13-25-18-9-4-3-6-15(18)24-14;/h3-9,14,20H,10-13H2,1-2H3;1H |
InChIKey: | OWRADFDDJVNMGL-UHFFFAOYSA-N |
Canonical Smiles: | COC1=C(C(=CC=C1)OC)OCCNCC2CSC3=CC=CC=C3O2.Cl |
Isomeric Smiles: | COC1=C(C(=CC=C1)OC)OCCNCC2CSC3=CC=CC=C3O2.Cl |
Molecular Weight: | 397.9 |
Molecular Formula: | C19H24ClNO4S |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Benoxathian hydrochloride
Molecular Weight: | 397.9 |
Molecular Formula: | C19H24ClNO4S |
Hydrogen Bond Donor Count: | 2 |
Hydrogen Bond Acceptor Count: | 6 |
Rotatable Bond Count: | 8 |
Heavy Atom Count: | 26 |
Complexity: | 374 |
Synonyms
Benoxathian hydrochloride
Experimental Data
Benoxathian hydrochloride
Experimental Data Visualization
Benoxathian hydrochloride
Statistics Data
Benoxathian hydrochloride
Statistics Data Visualization
Benoxathian hydrochloride
