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1422059-35-5 | N-((6,7,8,9-tetrahydro-5H-imidazo[1,5-a][1,4]diazepin-1-yl)methyl)methanesulfonamide
CAS No: 1422059-35-5 Catalog No: AG01DHGK MDL No:
Product Description
Catalog Number:
AG01DHGK
Chemical Name:
N-((6,7,8,9-tetrahydro-5H-imidazo[1,5-a][1,4]diazepin-1-yl)methyl)methanesulfonamide
CAS Number:
1422059-35-5
Molecular Formula:
C9H16N4O2S
Molecular Weight:
244.3139
IUPAC Name:
N-(6,7,8,9-tetrahydro-5H-imidazo[1,5-a][1,4]diazepin-1-ylmethyl)methanesulfonamide
InChI:
InChI=1S/C9H16N4O2S/c1-16(14,15)12-5-8-9-6-10-3-2-4-13(9)7-11-8/h7,10,12H,2-6H2,1H3
InChI Key:
WZHLSBSGBBWBLR-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)NCc1ncn2c1CNCCC2
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.099g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
244.313g/mol
Monoisotopic Mass:
244.099g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
84.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6
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