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1092352-17-4

1092352-17-4 | (E)-N'-{6-benzyl-3-cyano-4H,5H,6H,7H-thieno[2,3-c]pyridin-2-yl}-N,N-dimethylmethanimidamide

CAS No: 1092352-17-4 Catalog No: AG00IPGZ MDL No:MFCD11553021

Product Description

Catalog Number:
AG00IPGZ
Chemical Name:
(E)-N'-{6-benzyl-3-cyano-4H,5H,6H,7H-thieno[2,3-c]pyridin-2-yl}-N,N-dimethylmethanimidamide
CAS Number:
1092352-17-4
Molecular Formula:
C18H20N4S
Molecular Weight:
324.4432
MDL Number:
MFCD11553021
IUPAC Name:
N'-(6-benzyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-N,N-dimethylmethanimidamide
InChI:
InChI=1S/C18H20N4S/c1-21(2)13-20-18-16(10-19)15-8-9-22(12-17(15)23-18)11-14-6-4-3-5-7-14/h3-7,13H,8-9,11-12H2,1-2H3
InChI Key:
RUBBMRULCUDNQP-UHFFFAOYSA-N
SMILES:
N#Cc1c(/N=C/N(C)C)sc2c1CCN(C2)Cc1ccccc1

Properties

Complexity:
463  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.141g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
324.446g/mol
Monoisotopic Mass:
324.141g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
70.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
2.7  

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