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1422067-10-4 | N-[[(3S,3aR,7aR)-1,3,3a,4,5,6,7,7a-octahydrofuro[3,4-c]pyridin-3-yl]methyl]pyridazine-4-carboxamide
CAS No: 1422067-10-4 Catalog No: AG01DI2Q MDL No:
Product Description
Catalog Number:
AG01DI2Q
Chemical Name:
N-[[(3S,3aR,7aR)-1,3,3a,4,5,6,7,7a-octahydrofuro[3,4-c]pyridin-3-yl]methyl]pyridazine-4-carboxamide
CAS Number:
1422067-10-4
Molecular Formula:
C13H18N4O2
Molecular Weight:
262.3076
IUPAC Name:
N-[[(3S,3aR,7aR)-1,3,3a,4,5,6,7,7a-octahydrofuro[3,4-c]pyridin-3-yl]methyl]pyridazine-4-carboxamide
InChI:
InChI=1S/C13H18N4O2/c18-13(9-2-4-16-17-5-9)15-7-12-11-6-14-3-1-10(11)8-19-12/h2,4-5,10-12,14H,1,3,6-8H2,(H,15,18)/t10-,11-,12+/m0/s1
InChI Key:
HVZRPWJKRCFZNT-SDDRHHMPSA-N
SMILES:
O=C(c1ccnnc1)NC[C@H]1OC[C@H]2[C@@H]1CNCC2
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
262.143g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
262.313g/mol
Monoisotopic Mass:
262.143g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1
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