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87540-46-3 | 3-(3,4-DIMETHYLPHENYL)-6-ETHOXY-1,2,4-TRIAZOLO[3,4-A]PHTHALAZINE
CAS No: 87540-46-3 Catalog No: AG004H2F MDL No:
Product Description
Catalog Number:
AG004H2F
Chemical Name:
3-(3,4-DIMETHYLPHENYL)-6-ETHOXY-1,2,4-TRIAZOLO[3,4-A]PHTHALAZINE
CAS Number:
87540-46-3
Molecular Formula:
C19H18N4O
Molecular Weight:
318.3724
IUPAC Name:
3-(3,4-dimethylphenyl)-6-ethoxy-[1,2,4]triazolo[3,4-a]phthalazine
InChI:
InChI=1S/C19H18N4O/c1-4-24-19-16-8-6-5-7-15(16)18-21-20-17(23(18)22-19)14-10-9-12(2)13(3)11-14/h5-11H,4H2,1-3H3
InChI Key:
VZVYMRZMEDZPDX-UHFFFAOYSA-N
SMILES:
CCOc1nn2c(nnc2c2c1cccc2)c1ccc(c(c1)C)C
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.148g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.38g/mol
Monoisotopic Mass:
318.148g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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