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Home > Boronic Acids > 185628-24-4
185628-24-4 | Boron,(1H-benzimidazole-kN3)trifluoro-, (T-4)-
CAS No: 185628-24-4 Catalog No: AG0076PO MDL No:
Product Description
Catalog Number:
AG0076PO
Chemical Name:
Boron,(1H-benzimidazole-kN3)trifluoro-, (T-4)-
CAS Number:
185628-24-4
Molecular Formula:
C16H15N5OS
Molecular Weight:
325.3882
IUPAC Name:
1-(4-amino-2-methylsulfanylpteridin-7-yl)-3-phenylpropan-1-one
InChI:
InChI=1S/C16H15N5OS/c1-23-16-20-14(17)13-15(21-16)19-11(9-18-13)12(22)8-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H2,17,19,20,21)
InChI Key:
DUKPFANCEZYHGR-UHFFFAOYSA-N
SMILES:
CSc1nc2nc(cnc2c(n1)N)C(=O)CCc1ccccc1
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.1g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
325.39g/mol
Monoisotopic Mass:
325.1g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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