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897360-60-0 | Pyrido[3,2-d]pyrimidine, 6-(3,4-dimethoxyphenyl)-4-(1-piperazinyl)-
CAS No: 897360-60-0 Catalog No: AG004188 MDL No:
Product Description
Catalog Number:
AG004188
Chemical Name:
Pyrido[3,2-d]pyrimidine, 6-(3,4-dimethoxyphenyl)-4-(1-piperazinyl)-
CAS Number:
897360-60-0
Molecular Formula:
C19H21N5O2
Molecular Weight:
351.4023
IUPAC Name:
6-(3,4-dimethoxyphenyl)-4-piperazin-1-ylpyrido[3,2-d]pyrimidine
InChI:
InChI=1S/C19H21N5O2/c1-25-16-6-3-13(11-17(16)26-2)14-4-5-15-18(23-14)19(22-12-21-15)24-9-7-20-8-10-24/h3-6,11-12,20H,7-10H2,1-2H3
InChI Key:
PVCSNTSEGAYJRQ-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)c1ccc2c(n1)c(ncn2)N1CCNCC1
Properties
Complexity:
448
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.17g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
351.41g/mol
Monoisotopic Mass:
351.17g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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