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7151-42-0 | 1-butyl-4-(phenylsulfonyl)-1,2,3,4-tetrahydroquinoxaline
CAS No: 7151-42-0 Catalog No: AG0066JI MDL No:
Product Description
Catalog Number:
AG0066JI
Chemical Name:
1-butyl-4-(phenylsulfonyl)-1,2,3,4-tetrahydroquinoxaline
CAS Number:
7151-42-0
Molecular Formula:
C18H22N2O2S
Molecular Weight:
330.4445
IUPAC Name:
1-(benzenesulfonyl)-4-butyl-2,3-dihydroquinoxaline
InChI:
InChI=1S/C18H22N2O2S/c1-2-3-13-19-14-15-20(18-12-8-7-11-17(18)19)23(21,22)16-9-5-4-6-10-16/h4-12H,2-3,13-15H2,1H3
InChI Key:
DMSSYCOOVYXIHS-UHFFFAOYSA-N
SMILES:
CCCCN1CCN(c2c1cccc2)S(=O)(=O)c1ccccc1
NSC Number:
70122
Properties
Complexity:
468
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.14g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.446g/mol
Monoisotopic Mass:
330.14g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
49A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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