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17400-11-2 | Benzenesulfonamide, N-[3-(2-amino-1,6-dihydro-4-methyl-6-oxo-5-pyrimidinyl)propyl]-4-(2-bromoacetyl)-, hydrobromide (1:1)
CAS No: 17400-11-2 Catalog No: AG001ZDY MDL No:
Product Description
Catalog Number:
AG001ZDY
Chemical Name:
Benzenesulfonamide, N-[3-(2-amino-1,6-dihydro-4-methyl-6-oxo-5-pyrimidinyl)propyl]-4-(2-bromoacetyl)-, hydrobromide (1:1)
CAS Number:
17400-11-2
Molecular Formula:
C16H20Br2N4O4S
Molecular Weight:
524.2274
IUPAC Name:
N-[3-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)propyl]-4-(2-bromoacetyl)benzenesulfonamide
InChI:
InChI=1S/C16H19BrN4O4S/c1-10-13(15(23)21-16(18)20-10)3-2-8-19-26(24,25)12-6-4-11(5-7-12)14(22)9-17/h4-7,19H,2-3,8-9H2,1H3,(H3,18,20,21,23)
InChI Key:
GXENAXXUYXXAFJ-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1ccc(cc1)S(=O)(=O)NCCCc1c(C)nc([nH]c1=O)N.Br
Properties
Complexity:
719
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
442.031g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
443.316g/mol
Monoisotopic Mass:
442.031g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
139A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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