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1006717-55-0 | Methanone, [4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl-2,2,3,3,5,5,6,6-d8]-2-furanyl-
CAS No: 1006717-55-0 Catalog No: AG0002LT MDL No:
Product Description
Catalog Number:
AG0002LT
Chemical Name:
Methanone, [4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl-2,2,3,3,5,5,6,6-d8]-2-furanyl-
CAS Number:
1006717-55-0
Molecular Formula:
C19H13D8N5O4
Molecular Weight:
391.4504
IUPAC Name:
[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl]-(furan-2-yl)methanone
InChI:
InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)/i5D2,6D2,7D2,8D2
InChI Key:
IENZQIKPVFGBNW-YEBVBAJPSA-N
SMILES:
COc1cc2nc(nc(c2cc1OC)N)N1C([2H])([2H])C([2H])([2H])N(C(C1([2H])[2H])([2H])[2H])C(=O)c1ccco1
Properties
Complexity:
544
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
391.21g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
8
Molecular Weight:
391.457g/mol
Monoisotopic Mass:
391.21g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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