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Home > Pyridines > 1253528-17-4
1253528-17-4 | 1-(benzenesulfonyl)-4-(3-methylpyridin-2-yl)-1,4-diazepane
CAS No: 1253528-17-4 Catalog No: AG00JWGG MDL No:MFCD17168369
Product Description
Catalog Number:
AG00JWGG
Chemical Name:
1-(benzenesulfonyl)-4-(3-methylpyridin-2-yl)-1,4-diazepane
CAS Number:
1253528-17-4
Molecular Formula:
C17H21N3O2S
Molecular Weight:
331.4325
MDL Number:
MFCD17168369
IUPAC Name:
1-(benzenesulfonyl)-4-(3-methylpyridin-2-yl)-1,4-diazepane
InChI:
InChI=1S/C17H21N3O2S/c1-15-7-5-10-18-17(15)19-11-6-12-20(14-13-19)23(21,22)16-8-3-2-4-9-16/h2-5,7-10H,6,11-14H2,1H3
InChI Key:
WPZOCKCJKACKED-UHFFFAOYSA-N
SMILES:
Cc1cccnc1N1CCCN(CC1)S(=O)(=O)c1ccccc1
Properties
Complexity:
471
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.135g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
331.434g/mol
Monoisotopic Mass:
331.135g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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