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Home > Imidazoles > 1823312-06-6
1823312-06-6 | 2-methyl-5H,6H,7H,8H,9H-imidazo[1,2-a]azepine-3-sulfonamide
CAS No: 1823312-06-6 Catalog No: AG01B7RC MDL No:MFCD28145545
Product Description
Catalog Number:
AG01B7RC
Chemical Name:
2-methyl-5H,6H,7H,8H,9H-imidazo[1,2-a]azepine-3-sulfonamide
CAS Number:
1823312-06-6
Molecular Formula:
C9H15N3O2S
Molecular Weight:
229.2993
MDL Number:
MFCD28145545
IUPAC Name:
2-methyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-sulfonamide
InChI:
InChI=1S/C9H15N3O2S/c1-7-9(15(10,13)14)12-6-4-2-3-5-8(12)11-7/h2-6H2,1H3,(H2,10,13,14)
InChI Key:
PBGFFAHBNUQNBZ-UHFFFAOYSA-N
SMILES:
Cc1nc2n(c1S(=O)(=O)N)CCCCC2
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.088g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.298g/mol
Monoisotopic Mass:
229.088g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
86.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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