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130925-67-6 | 4H-Pyrazolo[3,4-d]pyrimidin-4-one, 1,5-dihydro-1,6-diphenyl-
CAS No: 130925-67-6 Catalog No: AG000V49 MDL No:
Product Description
Catalog Number:
AG000V49
Chemical Name:
4H-Pyrazolo[3,4-d]pyrimidin-4-one, 1,5-dihydro-1,6-diphenyl-
CAS Number:
130925-67-6
Molecular Formula:
C17H12N4O
Molecular Weight:
288.3034
IUPAC Name:
1,6-diphenyl-5H-pyrazolo[3,4-d]pyrimidin-4-one
InChI:
InChI=1S/C17H12N4O/c22-17-14-11-18-21(13-9-5-2-6-10-13)16(14)19-15(20-17)12-7-3-1-4-8-12/h1-11H,(H,19,20,22)
InChI Key:
SNOKEAVUQRYZMF-UHFFFAOYSA-N
SMILES:
O=c1[nH]c(nc2c1cnn2c1ccccc1)c1ccccc1
Properties
Complexity:
452
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.101g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
288.31g/mol
Monoisotopic Mass:
288.101g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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