Home Halogens N-[3-(4-tert-butylbenzoyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-chloroacetamide

N-[3-(4-tert-butylbenzoyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-chloroacetamide

CAS No.:
792954-17-7
Catalog Number:
AG019NMM
Molecular Formula:
C22H26ClNO2S
Molecular Weight:
403.9653
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Product Description
Catalog Number:
AG019NMM
Chemical Name:
N-[3-(4-tert-butylbenzoyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-chloroacetamide
CAS Number:
792954-17-7
Molecular Formula:
C22H26ClNO2S
Molecular Weight:
403.9653
MDL Number:
MFCD06362473
IUPAC Name:
N-[3-(4-tert-butylbenzoyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-chloroacetamide
InChI:
InChI=1S/C22H26ClNO2S/c1-13-5-10-16-17(11-13)27-21(24-18(25)12-23)19(16)20(26)14-6-8-15(9-7-14)22(2,3)4/h6-9,13H,5,10-12H2,1-4H3,(H,24,25)
InChI Key:
HVLZPJWVPMKJQE-UHFFFAOYSA-N
SMILES:
ClCC(=O)Nc1sc2c(c1C(=O)c1ccc(cc1)C(C)(C)C)CCC(C2)C
Properties
Complexity:
553  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
403.137g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
403.965g/mol
Monoisotopic Mass:
403.137g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
74.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
7  
Properties