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Home > Other Heterocycles > 171668-01-2
171668-01-2 | 1-(2,4-DIPHENYL-1,5,7,9-TETRAZABICYCLO[4.3.0]NONA-3,5,7-TRIEN-8-YL)PYR ROLIDINE-2,5-DIONE
CAS No: 171668-01-2 Catalog No: AG007DSE MDL No:
Product Description
Catalog Number:
AG007DSE
Chemical Name:
1-(2,4-DIPHENYL-1,5,7,9-TETRAZABICYCLO[4.3.0]NONA-3,5,7-TRIEN-8-YL)PYR ROLIDINE-2,5-DIONE
CAS Number:
171668-01-2
Molecular Formula:
C21H17N5O2
Molecular Weight:
371.3920
IUPAC Name:
1-(5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)pyrrolidine-2,5-dione
InChI:
InChI=1S/C21H17N5O2/c27-18-11-12-19(28)25(18)21-23-20-22-16(14-7-3-1-4-8-14)13-17(26(20)24-21)15-9-5-2-6-10-15/h1-10,13,17H,11-12H2,(H,22,23,24)
InChI Key:
DSNUKTQGSQVKBT-UHFFFAOYSA-N
SMILES:
O=C1CCC(=O)N1c1[nH]n2c(=NC(=CC2c2ccccc2)c2ccccc2)n1
Properties
Complexity:
637
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
371.138g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
371.4g/mol
Monoisotopic Mass:
371.138g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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