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20110-65-0 | Benzenesulfonyl fluoride, 4-[[2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenoxy]acetyl]amino]-
CAS No: 20110-65-0 Catalog No: AG002D81 MDL No:
Product Description
Catalog Number:
AG002D81
Chemical Name:
Benzenesulfonyl fluoride, 4-[[2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenoxy]acetyl]amino]-
CAS Number:
20110-65-0
Molecular Formula:
C19H20ClFN6O4S
Molecular Weight:
482.9163
IUPAC Name:
4-[[2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]acetyl]amino]benzenesulfonyl fluoride
InChI:
InChI=1S/C19H20ClFN6O4S/c1-19(2)26-17(22)25-18(23)27(19)12-5-8-15(14(20)9-12)31-10-16(28)24-11-3-6-13(7-4-11)32(21,29)30/h3-9H,10H2,1-2H3,(H,24,28)(H4,22,23,25,26)
InChI Key:
QADXPABWHTZYHG-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1)S(=O)(=O)F)COc1ccc(cc1Cl)N1C(=NC(=NC1(C)C)N)N
NSC Number:
127751
Properties
Complexity:
870
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
482.094g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
482.915g/mol
Monoisotopic Mass:
482.094g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
161A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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