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600122-49-4

600122-49-4 | Benzo[b]thiophene-2-carboxamide, 3-chloro-N-(5,6-dihydro-4H-cyclopentathiazol-2-yl)- (9CI)

CAS No: 600122-49-4 Catalog No: AG00EOHR MDL No:

Product Description

Catalog Number:
AG00EOHR
Chemical Name:
Benzo[b]thiophene-2-carboxamide, 3-chloro-N-(5,6-dihydro-4H-cyclopentathiazol-2-yl)- (9CI)
CAS Number:
600122-49-4
IUPAC Name:
N-(8,8a-dihydrocyclopenta[i][1,3,5,7,2,4,6,8]tetrathiatetrazecin-2-yl)-3-chloro-1-benzothiophene-2-carboxamide
InChI:
InChI=1S/C14H12ClN5OS5/c15-12-8-4-1-2-6-10(8)22-13(12)14(21)16-20-23-11-7-3-5-9(11)17-24-18-25-19-26-20/h1-7,9,17-19H,(H,16,21)
InChI Key:
PYTZSBXZCDNWJC-UHFFFAOYSA-N

Properties

Complexity:
596  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
460.933g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
462.034g/mol
Monoisotopic Mass:
460.933g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
198A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
5  

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