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Home > Pyridines > 1422059-11-7
1422059-11-7 | N-(((3S,3aR,7aR)-octahydrofuro[3,4-c]pyridin-3-yl)methyl)furan-2-carboxamide
CAS No: 1422059-11-7 Catalog No: AG01DHNC MDL No:
Product Description
Catalog Number:
AG01DHNC
Chemical Name:
N-(((3S,3aR,7aR)-octahydrofuro[3,4-c]pyridin-3-yl)methyl)furan-2-carboxamide
CAS Number:
1422059-11-7
Molecular Formula:
C13H18N2O3
Molecular Weight:
250.2936
IUPAC Name:
N-[[(3S,3aR,7aR)-1,3,3a,4,5,6,7,7a-octahydrofuro[3,4-c]pyridin-3-yl]methyl]furan-2-carboxamide
InChI:
InChI=1S/C13H18N2O3/c16-13(11-2-1-5-17-11)15-7-12-10-6-14-4-3-9(10)8-18-12/h1-2,5,9-10,12,14H,3-4,6-8H2,(H,15,16)/t9-,10-,12+/m0/s1
InChI Key:
SSZYCOGOYOSOGX-JBLDHEPKSA-N
SMILES:
O=C(c1ccco1)NC[C@H]1OC[C@H]2[C@@H]1CNCC2
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
250.132g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
250.298g/mol
Monoisotopic Mass:
250.132g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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