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Home Other Building Blocks N-(3-Cyano-4,5,6,7-tetrahydro-2-benzothienyl)-3-phenylpropanamide

N-(3-Cyano-4,5,6,7-tetrahydro-2-benzothienyl)-3-phenylpropanamide

CAS No.:
321945-24-8
Catalog Number:
AG01DEJF
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG01DEJF
Chemical Name:
N-(3-Cyano-4,5,6,7-tetrahydro-2-benzothienyl)-3-phenylpropanamide
CAS Number:
321945-24-8
MDL Number:
MFCD00616446
IUPAC Name:
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-phenylpropanamide
InChI:
InChI=1S/C18H18N2OS/c19-12-15-14-8-4-5-9-16(14)22-18(15)20-17(21)11-10-13-6-2-1-3-7-13/h1-3,6-7H,4-5,8-11H2,(H,20,21)
InChI Key:
JFULSLXRHNJOEO-UHFFFAOYSA-N
Properties
Complexity:
438  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.114g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
310.415g/mol
Monoisotopic Mass:
310.114g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5  
Literature
Title Journal
Identification and optimization of small molecule antagonists of vasoactive intestinal peptide receptor-1 (VIPR1). Bioorganic & medicinal chemistry letters 20120315
Properties