6-O-tert-butyl 3-O-ethyl 2-amino-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate


Chemical Name: 6-O-tert-butyl 3-O-ethyl 2-amino-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate
CAS Number: 193537-14-3
Product Number: AG00I2ZA(AGN-PC-0KL72Q)
Synonyms:
MDL No:
Molecular Formula: C15H22N2O4S
Molecular Weight: 326.4112

Identification/Properties


Computed Properties
Molecular Weight:
326.411g/mol
XLogP3:
2.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
5
Exact Mass:
326.13g/mol
Monoisotopic Mass:
326.13g/mol
Topological Polar Surface Area:
110A^2
Heavy Atom Count:
22
Formal Charge:
0
Complexity:
438
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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