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1422136-51-3 | N-[[(3S,3aR,7aR)-1,3,3a,4,5,6,7,7a-octahydrofuro[3,4-c]pyridin-3-yl]methyl]-1-methylpyrrole-2-carboxamide
CAS No: 1422136-51-3 Catalog No: AG01DI3X MDL No:
Product Description
Catalog Number:
AG01DI3X
Chemical Name:
N-[[(3S,3aR,7aR)-1,3,3a,4,5,6,7,7a-octahydrofuro[3,4-c]pyridin-3-yl]methyl]-1-methylpyrrole-2-carboxamide
CAS Number:
1422136-51-3
Molecular Formula:
C14H21N3O2
Molecular Weight:
263.3354
IUPAC Name:
N-[[(3S,3aR,7aR)-1,3,3a,4,5,6,7,7a-octahydrofuro[3,4-c]pyridin-3-yl]methyl]-1-methylpyrrole-2-carboxamide
InChI:
InChI=1S/C14H21N3O2/c1-17-6-2-3-12(17)14(18)16-8-13-11-7-15-5-4-10(11)9-19-13/h2-3,6,10-11,13,15H,4-5,7-9H2,1H3,(H,16,18)/t10-,11-,13+/m0/s1
InChI Key:
PCJBRNUXVIPHDZ-GMXVVIOVSA-N
SMILES:
O=C(c1cccn1C)NC[C@H]1OC[C@H]2[C@@H]1CNCC2
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
263.163g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
263.341g/mol
Monoisotopic Mass:
263.163g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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