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102714-70-5 | 2-Propen-1-one, 1-[4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl]-3-(4-azidophenyl)-
CAS No: 102714-70-5 Catalog No: AG00087P MDL No:
Product Description
Catalog Number:
AG00087P
Chemical Name:
2-Propen-1-one, 1-[4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl]-3-(4-azidophenyl)-
CAS Number:
102714-70-5
Molecular Formula:
C23H24N8O3
Molecular Weight:
460.4885
IUPAC Name:
1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-3-(4-azidophenyl)prop-2-en-1-one
InChI:
InChI=1S/C23H24N8O3/c1-33-19-13-17-18(14-20(19)34-2)26-23(27-22(17)24)31-11-9-30(10-12-31)21(32)8-5-15-3-6-16(7-4-15)28-29-25/h3-8,13-14H,9-12H2,1-2H3,(H2,24,26,27)
InChI Key:
KEKOVWRBNKELII-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=Nc1ccc(cc1)C=CC(=O)N1CCN(CC1)c1nc(N)c2c(n1)cc(c(c2)OC)OC
Properties
Complexity:
759
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
460.197g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
460.498g/mol
Monoisotopic Mass:
460.197g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4
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