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160455-72-1 | 1H,5H-[1,2,4]Triazolo[1,2-a][1,2,4]triazole-1,5-dione, tetrahydro-2,6-bis(2-oxiranylmethyl)-3,7-diphenyl-
CAS No: 160455-72-1 Catalog No: AG001RX6 MDL No:
Product Description
Catalog Number:
AG001RX6
Chemical Name:
1H,5H-[1,2,4]Triazolo[1,2-a][1,2,4]triazole-1,5-dione, tetrahydro-2,6-bis(2-oxiranylmethyl)-3,7-diphenyl-
CAS Number:
160455-72-1
Molecular Formula:
C22H22N4O4
Molecular Weight:
406.4345
IUPAC Name:
2,6-bis(oxiran-2-ylmethyl)-1,5-diphenyl-1,5-dihydro-[1,2,4]triazolo[1,2-a][1,2,4]triazole-3,7-dione
InChI:
InChI=1S/C22H22N4O4/c27-21-23(11-17-13-29-17)19(15-7-3-1-4-8-15)25-22(28)24(12-18-14-30-18)20(26(21)25)16-9-5-2-6-10-16/h1-10,17-20H,11-14H2
InChI Key:
JNKSXJHURXOFMG-UHFFFAOYSA-N
SMILES:
O=C1N(CC2OC2)C(N2N1C(c1ccccc1)N(C2=O)CC1OC1)c1ccccc1
Properties
Complexity:
635
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
406.164g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
406.442g/mol
Monoisotopic Mass:
406.164g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
72.2A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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