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Home > Pyridines > 1253527-77-3
1253527-77-3 | 1-methanesulfonyl-4-(3-methylpyridin-2-yl)-1,4-diazepane
CAS No: 1253527-77-3 Catalog No: AG00JWGH MDL No:MFCD17168370
Product Description
Catalog Number:
AG00JWGH
Chemical Name:
1-methanesulfonyl-4-(3-methylpyridin-2-yl)-1,4-diazepane
CAS Number:
1253527-77-3
Molecular Formula:
C12H19N3O2S
Molecular Weight:
269.3632
MDL Number:
MFCD17168370
IUPAC Name:
1-(3-methylpyridin-2-yl)-4-methylsulfonyl-1,4-diazepane
InChI:
InChI=1S/C12H19N3O2S/c1-11-5-3-6-13-12(11)14-7-4-8-15(10-9-14)18(2,16)17/h3,5-6H,4,7-10H2,1-2H3
InChI Key:
MQTLAKONHIHBRA-UHFFFAOYSA-N
SMILES:
Cc1cccnc1N1CCCN(CC1)S(=O)(=O)C
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.12g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.363g/mol
Monoisotopic Mass:
269.12g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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