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897360-81-5 | Pyrido[3,2-d]pyrimidin-4(1H)-one, 2-amino-6-(3-chloro-4-ethoxyphenyl)-
CAS No: 897360-81-5 Catalog No: AG0041B1 MDL No:
Product Description
Catalog Number:
AG0041B1
Chemical Name:
Pyrido[3,2-d]pyrimidin-4(1H)-one, 2-amino-6-(3-chloro-4-ethoxyphenyl)-
CAS Number:
897360-81-5
Molecular Formula:
C15H13ClN4O2
Molecular Weight:
316.7423
IUPAC Name:
2-amino-6-(3-chloro-4-ethoxyphenyl)-3H-pyrido[3,2-d]pyrimidin-4-one
InChI:
InChI=1S/C15H13ClN4O2/c1-2-22-12-6-3-8(7-9(12)16)10-4-5-11-13(18-10)14(21)20-15(17)19-11/h3-7H,2H2,1H3,(H3,17,19,20,21)
InChI Key:
DXVKNNLUJRRUDY-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1Cl)c1ccc2c(n1)c(=O)nc([nH]2)N
Properties
Complexity:
459
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.073g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
316.745g/mol
Monoisotopic Mass:
316.073g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
89.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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