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125968-63-0 | Pyrido[3,4-d]pyridazine-7-carboxylic acid, 5,8-diphenyl-, ethyl ester
CAS No: 125968-63-0 Catalog No: AG000QM4 MDL No:
Product Description
Catalog Number:
AG000QM4
Chemical Name:
Pyrido[3,4-d]pyridazine-7-carboxylic acid, 5,8-diphenyl-, ethyl ester
CAS Number:
125968-63-0
Molecular Formula:
C22H17N3O2
Molecular Weight:
355.3893
IUPAC Name:
ethyl 5,8-diphenylpyrido[3,4-d]pyridazine-7-carboxylate
InChI:
InChI=1S/C22H17N3O2/c1-2-27-22(26)21-19(15-9-5-3-6-10-15)17-13-23-24-14-18(17)20(25-21)16-11-7-4-8-12-16/h3-14H,2H2,1H3
InChI Key:
PEXPNVIWFGJZDN-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nc(c2ccccc2)c2c(c1c1ccccc1)cnnc2
Properties
Complexity:
488
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.132g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
355.397g/mol
Monoisotopic Mass:
355.132g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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