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1363381-39-8 | Thieno[3,2-c]pyridine-3,5(4H)-dicarboxylic acid, 6,7-dihydro-, 5-(1,1-dimethylethyl) 3-ethyl ester
CAS No: 1363381-39-8 Catalog No: AG0011OL MDL No:MFCD23105853
Product Description
Catalog Number:
AG0011OL
Chemical Name:
Thieno[3,2-c]pyridine-3,5(4H)-dicarboxylic acid, 6,7-dihydro-, 5-(1,1-dimethylethyl) 3-ethyl ester
CAS Number:
1363381-39-8
Molecular Formula:
C15H21NO4S
Molecular Weight:
311.3965
MDL Number:
MFCD23105853
IUPAC Name:
5-O-tert-butyl 3-O-ethyl 6,7-dihydro-4H-thieno[3,2-c]pyridine-3,5-dicarboxylate
InChI:
InChI=1S/C15H21NO4S/c1-5-19-13(17)11-9-21-12-6-7-16(8-10(11)12)14(18)20-15(2,3)4/h9H,5-8H2,1-4H3
InChI Key:
SWOKCCMRUMVETA-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1csc2c1CN(CC2)C(=O)OC(C)(C)C
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.119g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.396g/mol
Monoisotopic Mass:
311.119g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
84.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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