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Home > Imidazoles > 1049873-74-6
1049873-74-6 | N-[1-(4-acetamidobenzenesulfonyl)piperidin-4-yl]-1H-imidazole-1-carboxamide
CAS No: 1049873-74-6 Catalog No: AG019MF7 MDL No:MFCD10686819
Product Description
Catalog Number:
AG019MF7
Chemical Name:
N-[1-(4-acetamidobenzenesulfonyl)piperidin-4-yl]-1H-imidazole-1-carboxamide
CAS Number:
1049873-74-6
Molecular Formula:
C17H21N5O4S
Molecular Weight:
391.4447
MDL Number:
MFCD10686819
IUPAC Name:
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]imidazole-1-carboxamide
InChI:
InChI=1S/C17H21N5O4S/c1-13(23)19-14-2-4-16(5-3-14)27(25,26)22-9-6-15(7-10-22)20-17(24)21-11-8-18-12-21/h2-5,8,11-12,15H,6-7,9-10H2,1H3,(H,19,23)(H,20,24)
InChI Key:
ITSIMWMHLWTAES-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(CC1)NC(=O)n1cncc1
Properties
Complexity:
634
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
391.131g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
391.446g/mol
Monoisotopic Mass:
391.131g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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