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17400-19-0 | Acetamide, N-[1,6-dihydro-4-methyl-5-[3-[[(4-nitrophenyl)sulfonyl]phenylamino]propyl]-6-oxo-2-pyrimidinyl]-
CAS No: 17400-19-0 Catalog No: AG001ZDX MDL No:
Product Description
Catalog Number:
AG001ZDX
Chemical Name:
Acetamide, N-[1,6-dihydro-4-methyl-5-[3-[[(4-nitrophenyl)sulfonyl]phenylamino]propyl]-6-oxo-2-pyrimidinyl]-
CAS Number:
17400-19-0
Molecular Formula:
C22H23N5O6S
Molecular Weight:
485.5129
IUPAC Name:
N-[4-methyl-5-[3-(N-(4-nitrophenyl)sulfonylanilino)propyl]-6-oxo-1H-pyrimidin-2-yl]acetamide
InChI:
InChI=1S/C22H23N5O6S/c1-15-20(21(29)25-22(23-15)24-16(2)28)9-6-14-26(17-7-4-3-5-8-17)34(32,33)19-12-10-18(11-13-19)27(30)31/h3-5,7-8,10-13H,6,9,14H2,1-2H3,(H2,23,24,25,28,29)
InChI Key:
ZYCLTZHMBQHPOX-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1nc(C)c(c(=O)[nH]1)CCCN(S(=O)(=O)c1ccc(cc1)[N+](=O)[O-])c1ccccc1
NSC Number:
211240
Properties
Complexity:
951
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
485.137g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
485.515g/mol
Monoisotopic Mass:
485.137g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
162A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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