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94087-26-0 | 2-[[(1,2-BENZISOTHIAZOL-3-YLOXY)METHYL]CYCLOHEXYLAMINO]ETHANOL
CAS No: 94087-26-0 Catalog No: AG006SKW MDL No:
Product Description
Catalog Number:
AG006SKW
Chemical Name:
2-[[(1,2-BENZISOTHIAZOL-3-YLOXY)METHYL]CYCLOHEXYLAMINO]ETHANOL
CAS Number:
94087-26-0
Molecular Formula:
C16H22N2O2S
Molecular Weight:
306.4231
IUPAC Name:
2-[1,2-benzothiazol-3-yloxymethyl(cyclohexyl)amino]ethanol
InChI:
InChI=1S/C16H22N2O2S/c19-11-10-18(13-6-2-1-3-7-13)12-20-16-14-8-4-5-9-15(14)21-17-16/h4-5,8-9,13,19H,1-3,6-7,10-12H2
InChI Key:
ANWMSCHRMRJYNM-UHFFFAOYSA-N
SMILES:
OCCN(C1CCCCC1)COc1nsc2c1cccc2
EC Number:
301-919-2
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.14g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
306.424g/mol
Monoisotopic Mass:
306.14g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
73.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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