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Home > Pyridines > 2059956-11-3
2059956-11-3 | 4-{5H,6H,7H,8H-pyrido[4,3-c]pyridazin-3-yl}-1,4-oxazepane
CAS No: 2059956-11-3 Catalog No: AG01C0IM MDL No:MFCD30535676
Product Description
Catalog Number:
AG01C0IM
Chemical Name:
4-{5H,6H,7H,8H-pyrido[4,3-c]pyridazin-3-yl}-1,4-oxazepane
CAS Number:
2059956-11-3
Molecular Formula:
C12H18N4O
Molecular Weight:
234.2975
MDL Number:
MFCD30535676
IUPAC Name:
4-(5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-yl)-1,4-oxazepane
InChI:
InChI=1S/C12H18N4O/c1-4-16(5-7-17-6-1)12-8-10-9-13-3-2-11(10)14-15-12/h8,13H,1-7,9H2
InChI Key:
INZABVVKIMZNRV-UHFFFAOYSA-N
SMILES:
O1CCCN(CC1)c1nnc2c(c1)CNCC2
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.148g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.303g/mol
Monoisotopic Mass:
234.148g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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