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1005504-62-0 | 2,4-Quinazolinediamine, 5-[[1-[(2,6-dichlorophenyl)methyl]-4-piperidinyl]methoxy]-
CAS No: 1005504-62-0 Catalog No: AG0002AS MDL No:
Product Description
Catalog Number:
AG0002AS
Chemical Name:
2,4-Quinazolinediamine, 5-[[1-[(2,6-dichlorophenyl)methyl]-4-piperidinyl]methoxy]-
CAS Number:
1005504-62-0
Molecular Formula:
C21H23Cl2N5O
Molecular Weight:
432.3462
IUPAC Name:
5-[[1-[(2,6-dichlorophenyl)methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine
InChI:
InChI=1S/C21H23Cl2N5O/c22-15-3-1-4-16(23)14(15)11-28-9-7-13(8-10-28)12-29-18-6-2-5-17-19(18)20(24)27-21(25)26-17/h1-6,13H,7-12H2,(H4,24,25,26,27)
InChI Key:
MNLHFGXIUJNDAF-UHFFFAOYSA-N
SMILES:
Nc1nc(N)c2c(n1)cccc2OCC1CCN(CC1)Cc1c(Cl)cccc1Cl
UNII:
KSV93L7URW
Properties
Complexity:
511
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
431.128g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
432.349g/mol
Monoisotopic Mass:
431.128g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
90.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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