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1001020-08-1

1001020-08-1 | Thieno[2,3-c]pyridine-6(5H)-carboxylic acid, 2-amino-3-(aminocarbonyl)-4,7-dihydro-, 1,1-dimethylethyl ester

CAS No: 1001020-08-1 Catalog No: AG0000YQ MDL No:

Product Description

Catalog Number:
AG0000YQ
Chemical Name:
Thieno[2,3-c]pyridine-6(5H)-carboxylic acid, 2-amino-3-(aminocarbonyl)-4,7-dihydro-, 1,1-dimethylethyl ester
CAS Number:
1001020-08-1
Molecular Formula:
C13H19N3O3S
Molecular Weight:
297.3733
IUPAC Name:
tert-butyl 2-amino-3-carbamoyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
InChI:
InChI=1S/C13H19N3O3S/c1-13(2,3)19-12(18)16-5-4-7-8(6-16)20-11(15)9(7)10(14)17/h4-6,15H2,1-3H3,(H2,14,17)
InChI Key:
RITBMKDFXNCZCM-UHFFFAOYSA-N
SMILES:
O=C(N1CCc2c(C1)sc(c2C(=O)N)N)OC(C)(C)C

Properties

Complexity:
410  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.115g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
297.373g/mol
Monoisotopic Mass:
297.115g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  

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