Home Carboxys 1-(2-oxo-2-{4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}ethyl)cyclohexane-1-carboxylic acid

1-(2-oxo-2-{4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}ethyl)cyclohexane-1-carboxylic acid

CAS No.:
1156187-68-6
Catalog Number:
AG01A2CY
Molecular Formula:
C16H21NO3S
Molecular Weight:
307.4078
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Product Description
Catalog Number:
AG01A2CY
Chemical Name:
1-(2-oxo-2-{4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}ethyl)cyclohexane-1-carboxylic acid
CAS Number:
1156187-68-6
Molecular Formula:
C16H21NO3S
Molecular Weight:
307.4078
MDL Number:
MFCD13694962
IUPAC Name:
1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]cyclohexane-1-carboxylic acid
InChI:
InChI=1S/C16H21NO3S/c18-14(10-16(15(19)20)6-2-1-3-7-16)17-8-4-13-12(11-17)5-9-21-13/h5,9H,1-4,6-8,10-11H2,(H,19,20)
InChI Key:
PRXYGOWZNIBNCJ-UHFFFAOYSA-N
SMILES:
O=C(N1CCc2c(C1)ccs2)CC1(CCCCC1)C(=O)O
Properties
Complexity:
420  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.124g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
307.408g/mol
Monoisotopic Mass:
307.124g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
85.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties