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Home > Pyridines > 1422063-67-9
1422063-67-9 | (5aR,9aS)-4-(6-methylpyridazin-3-yl)-3,5,5a,6,7,8,9,9a-octahydro-2H-pyrido[4,3-f][1,4]oxazepine
CAS No: 1422063-67-9 Catalog No: AG01DHL8 MDL No:
Product Description
Catalog Number:
AG01DHL8
Chemical Name:
(5aR,9aS)-4-(6-methylpyridazin-3-yl)-3,5,5a,6,7,8,9,9a-octahydro-2H-pyrido[4,3-f][1,4]oxazepine
CAS Number:
1422063-67-9
Molecular Formula:
C13H20N4O
Molecular Weight:
248.3241
IUPAC Name:
(5aR,9aS)-4-(6-methylpyridazin-3-yl)-3,5,5a,6,7,8,9,9a-octahydro-2H-pyrido[4,3-f][1,4]oxazepine
InChI:
InChI=1S/C13H20N4O/c1-10-2-3-13(16-15-10)17-6-7-18-12-8-14-5-4-11(12)9-17/h2-3,11-12,14H,4-9H2,1H3/t11-,12-/m1/s1
InChI Key:
KUVXIQJNDAOQBS-VXGBXAGGSA-N
SMILES:
Cc1ccc(nn1)N1CCO[C@H]2[C@@H](C1)CCNC2
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
248.164g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.33g/mol
Monoisotopic Mass:
248.164g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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