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1422060-23-8

1422060-23-8 | (4R,4aS,8aR)-N-(thiophen-2-ylmethyl)octahydro-2H-pyrano[3,2-c]pyridine-4-carboxamide

CAS No: 1422060-23-8 Catalog No: AG01DIQG MDL No:

Product Description

Catalog Number:
AG01DIQG
Chemical Name:
(4R,4aS,8aR)-N-(thiophen-2-ylmethyl)octahydro-2H-pyrano[3,2-c]pyridine-4-carboxamide
CAS Number:
1422060-23-8
Molecular Formula:
C14H20N2O2S
Molecular Weight:
280.3858
IUPAC Name:
(4R,4aS,8aR)-N-(thiophen-2-ylmethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-pyrano[3,2-c]pyridine-4-carboxamide
InChI:
InChI=1S/C14H20N2O2S/c17-14(16-8-10-2-1-7-19-10)11-4-6-18-13-3-5-15-9-12(11)13/h1-2,7,11-13,15H,3-6,8-9H2,(H,16,17)/t11-,12-,13-/m1/s1
InChI Key:
OUTHSILAMQZZKB-JHJVBQTASA-N
SMILES:
O=C([C@@H]1CCO[C@H]2[C@@H]1CNCC2)NCc1cccs1

Properties

Complexity:
327  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
280.125g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
280.386g/mol
Monoisotopic Mass:
280.125g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
78.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  

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