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89150-99-2 | Quinazoline, 4-[4-(2-bromo-1-methylethyl)-1-piperidinyl]-6,7-dimethoxy-
CAS No: 89150-99-2 Catalog No: AG003WSK MDL No:
Product Description
Catalog Number:
AG003WSK
Chemical Name:
Quinazoline, 4-[4-(2-bromo-1-methylethyl)-1-piperidinyl]-6,7-dimethoxy-
CAS Number:
89150-99-2
Molecular Formula:
C18H24BrN3O2
Molecular Weight:
394.3061
IUPAC Name:
4-[4-(1-bromopropan-2-yl)piperidin-1-yl]-6,7-dimethoxyquinazoline
InChI:
InChI=1S/C18H24BrN3O2/c1-12(10-19)13-4-6-22(7-5-13)18-14-8-16(23-2)17(24-3)9-15(14)20-11-21-18/h8-9,11-13H,4-7,10H2,1-3H3
InChI Key:
MEBHAKIXLFLKPV-UHFFFAOYSA-N
SMILES:
BrCC(C1CCN(CC1)c1ncnc2c1cc(OC)c(c2)OC)C
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
393.105g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
394.313g/mol
Monoisotopic Mass:
393.105g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
47.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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