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1101919-44-1 | N-[2-(thiophen-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CAS No: 1101919-44-1 Catalog No: AG019UPO MDL No:MFCD09932283
Product Description
Catalog Number:
AG019UPO
Chemical Name:
N-[2-(thiophen-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CAS Number:
1101919-44-1
Molecular Formula:
C16H18N2OS
Molecular Weight:
286.3919
MDL Number:
MFCD09932283
IUPAC Name:
N-(2-thiophen-2-ylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
InChI:
InChI=1S/C16H18N2OS/c19-16(17-8-7-14-6-3-9-20-14)15-10-12-4-1-2-5-13(12)11-18-15/h1-6,9,15,18H,7-8,10-11H2,(H,17,19)
InChI Key:
KEZMZDDIGPPIRR-UHFFFAOYSA-N
SMILES:
O=C(C1NCc2c(C1)cccc2)NCCc1cccs1
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.114g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
286.393g/mol
Monoisotopic Mass:
286.114g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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