Home Halogens Ethyl 2-[(chloroacetyl)amino]-5,5,7,7-tetramethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate hydrochloride

Ethyl 2-[(chloroacetyl)amino]-5,5,7,7-tetramethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate hydrochloride

CAS No.:
1171150-66-5
Catalog Number:
AG008U5C
Molecular Formula:
C16H24Cl2N2O3S
Molecular Weight:
395.3444
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Product Description
Catalog Number:
AG008U5C
Chemical Name:
Ethyl 2-[(chloroacetyl)amino]-5,5,7,7-tetramethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate hydrochloride
CAS Number:
1171150-66-5
Molecular Formula:
C16H24Cl2N2O3S
Molecular Weight:
395.3444
MDL Number:
MFCD08447213
IUPAC Name:
ethyl 2-[(2-chloroacetyl)amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate;hydrochloride
InChI:
InChI=1S/C16H23ClN2O3S.ClH/c1-6-22-14(21)11-9-7-15(2,3)19-16(4,5)12(9)23-13(11)18-10(20)8-17;/h19H,6-8H2,1-5H3,(H,18,20);1H
InChI Key:
PFRNFHCOCDCPSU-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(NC(=O)CCl)sc2c1CC(C)(C)NC2(C)C.Cl
Properties
Complexity:
484  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
394.088g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
395.339g/mol
Monoisotopic Mass:
394.088g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
95.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties