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1393813-43-8 | SulfaMide, N-[5-(4-broMophenyl)-6-(2-hydroxyethoxy)-4-pyriMidinyl]-N'-propyl-
CAS No: 1393813-43-8 Catalog No: AG001AW8 MDL No:
Product Description
Catalog Number:
AG001AW8
Chemical Name:
SulfaMide, N-[5-(4-broMophenyl)-6-(2-hydroxyethoxy)-4-pyriMidinyl]-N'-propyl-
CAS Number:
1393813-43-8
Molecular Formula:
C15H19BrN4O4S
Molecular Weight:
431.3048
IUPAC Name:
2-[5-(4-bromophenyl)-6-(propylsulfamoylamino)pyrimidin-4-yl]oxyethanol
InChI:
InChI=1S/C15H19BrN4O4S/c1-2-7-19-25(22,23)20-14-13(11-3-5-12(16)6-4-11)15(18-10-17-14)24-9-8-21/h3-6,10,19,21H,2,7-9H2,1H3,(H,17,18,20)
InChI Key:
MKPBJHFHEQSWAH-UHFFFAOYSA-N
SMILES:
CCCNS(=O)(=O)Nc1ncnc(c1c1ccc(cc1)Br)OCCO
Properties
Complexity:
482
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
430.031g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
431.305g/mol
Monoisotopic Mass:
430.031g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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