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87540-51-0 | 6-ETHOXY-3-(2,4,5-TRIMETHOXYPHENYL)-1,2,4-TRIAZOLO[3,4-A]PHTHALAZINE
CAS No: 87540-51-0 Catalog No: AG004DDP MDL No:
Product Description
Catalog Number:
AG004DDP
Chemical Name:
6-ETHOXY-3-(2,4,5-TRIMETHOXYPHENYL)-1,2,4-TRIAZOLO[3,4-A]PHTHALAZINE
CAS Number:
87540-51-0
Molecular Formula:
C20H20N4O4
Molecular Weight:
380.3972
IUPAC Name:
6-ethoxy-3-(2,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazine
InChI:
InChI=1S/C20H20N4O4/c1-5-28-20-13-9-7-6-8-12(13)18-21-22-19(24(18)23-20)14-10-16(26-3)17(27-4)11-15(14)25-2/h6-11H,5H2,1-4H3
InChI Key:
NZCMLYVMGXLFPX-UHFFFAOYSA-N
SMILES:
CCOc1nn2c(nnc2c2c1cccc2)c1cc(OC)c(cc1OC)OC
Properties
Complexity:
513
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
380.148g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
380.404g/mol
Monoisotopic Mass:
380.148g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
80A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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