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Home > Pyridines > 1422069-09-7
1422069-09-7 | N-(((3S,3aR,7aR)-octahydrofuro[3,4-c]pyridin-3-yl)methyl)thiophene-3-carboxamide
CAS No: 1422069-09-7 Catalog No: AG01DI7Y MDL No:
Product Description
Catalog Number:
AG01DI7Y
Chemical Name:
N-(((3S,3aR,7aR)-octahydrofuro[3,4-c]pyridin-3-yl)methyl)thiophene-3-carboxamide
CAS Number:
1422069-09-7
Molecular Formula:
C13H18N2O2S
Molecular Weight:
266.3592
IUPAC Name:
N-[[(3S,3aR,7aR)-1,3,3a,4,5,6,7,7a-octahydrofuro[3,4-c]pyridin-3-yl]methyl]thiophene-3-carboxamide
InChI:
InChI=1S/C13H18N2O2S/c16-13(10-2-4-18-8-10)15-6-12-11-5-14-3-1-9(11)7-17-12/h2,4,8-9,11-12,14H,1,3,5-7H2,(H,15,16)/t9-,11-,12+/m0/s1
InChI Key:
OUXAPGBEFGGDIA-ZMLRMANQSA-N
SMILES:
O=C(c1cscc1)NC[C@H]1OC[C@H]2[C@@H]1CNCC2
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
266.109g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
266.359g/mol
Monoisotopic Mass:
266.109g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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