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1417794-01-4 | 3-Thiophenecarboxamide, N-[[1-(2-chloroacetyl)-4-piperidinyl]methyl]-
CAS No: 1417794-01-4 Catalog No: AG001H4C MDL No:MFCD22631707
Product Description
Catalog Number:
AG001H4C
Chemical Name:
3-Thiophenecarboxamide, N-[[1-(2-chloroacetyl)-4-piperidinyl]methyl]-
CAS Number:
1417794-01-4
Molecular Formula:
C13H17ClN2O2S
Molecular Weight:
300.8043
MDL Number:
MFCD22631707
IUPAC Name:
N-[[1-(2-chloroacetyl)piperidin-4-yl]methyl]thiophene-3-carboxamide
InChI:
InChI=1S/C13H17ClN2O2S/c14-7-12(17)16-4-1-10(2-5-16)8-15-13(18)11-3-6-19-9-11/h3,6,9-10H,1-2,4-5,7-8H2,(H,15,18)
InChI Key:
PDSRMHABZZTNOB-UHFFFAOYSA-N
SMILES:
ClCC(=O)N1CCC(CC1)CNC(=O)c1cscc1
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.07g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
300.801g/mol
Monoisotopic Mass:
300.07g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
77.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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