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18774-43-1 | Acetamide, N-(3-benzoyl-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)-
CAS No: 18774-43-1 Catalog No: AG002GGR MDL No:
Product Description
Catalog Number:
AG002GGR
Chemical Name:
Acetamide, N-(3-benzoyl-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)-
CAS Number:
18774-43-1
Molecular Formula:
C17H17NO2S
Molecular Weight:
299.3874
IUPAC Name:
N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
InChI:
InChI=1S/C17H17NO2S/c1-11(19)18-17-15(13-9-5-6-10-14(13)21-17)16(20)12-7-3-2-4-8-12/h2-4,7-8H,5-6,9-10H2,1H3,(H,18,19)
InChI Key:
DOALBJDTZPDTPE-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1sc2c(c1C(=O)c1ccccc1)CCCC2
Properties
Complexity:
406
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.098g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
299.388g/mol
Monoisotopic Mass:
299.098g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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