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1214900-68-1 | 1H-Indazol-3-amine, 6-bromo-1-(tetrahydro-2H-pyran-2-yl)-N-(tetrahydro-2H-pyran-4-yl)-
CAS No: 1214900-68-1 Catalog No: AG001528 MDL No:MFCD22376641
Product Description
Catalog Number:
AG001528
Chemical Name:
1H-Indazol-3-amine, 6-bromo-1-(tetrahydro-2H-pyran-2-yl)-N-(tetrahydro-2H-pyran-4-yl)-
CAS Number:
1214900-68-1
Molecular Formula:
C17H22BrN3O2
Molecular Weight:
380.2795
MDL Number:
MFCD22376641
IUPAC Name:
6-bromo-1-(oxan-2-yl)-N-(oxan-4-yl)indazol-3-amine
InChI:
InChI=1S/C17H22BrN3O2/c18-12-4-5-14-15(11-12)21(16-3-1-2-8-23-16)20-17(14)19-13-6-9-22-10-7-13/h4-5,11,13,16H,1-3,6-10H2,(H,19,20)
InChI Key:
NQOKZLXBBXZSKQ-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)n(nc2NC1CCOCC1)C1CCCCO1
Properties
Complexity:
394
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
379.09g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
380.286g/mol
Monoisotopic Mass:
379.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
48.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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