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827320-84-3 | Isoquinoline, 2-acetyl-1,2,3,4-tetrahydro-1-(2-thienyl)-
CAS No: 827320-84-3 Catalog No: AG008J63 MDL No:
Product Description
Catalog Number:
AG008J63
Chemical Name:
Isoquinoline, 2-acetyl-1,2,3,4-tetrahydro-1-(2-thienyl)-
CAS Number:
827320-84-3
Molecular Formula:
C15H15NOS
Molecular Weight:
257.3507
IUPAC Name:
1-(1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
InChI:
InChI=1S/C15H15NOS/c1-11(17)16-9-8-12-5-2-3-6-13(12)15(16)14-7-4-10-18-14/h2-7,10,15H,8-9H2,1H3
InChI Key:
JBQILCDTDJSLTM-UHFFFAOYSA-N
SMILES:
CC(=O)N1CCc2c(C1c1cccs1)cccc2
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.087g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.351g/mol
Monoisotopic Mass:
257.087g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
48.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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