Home Carboxys 1-{6-[(3-methoxyphenyl)sulfanyl]pyridazin-3-yl}piperidine-3-carboxylic acid

1-{6-[(3-methoxyphenyl)sulfanyl]pyridazin-3-yl}piperidine-3-carboxylic acid

CAS No.:
1803571-15-4
Catalog Number:
AG01BECZ
Molecular Formula:
C17H19N3O3S
Molecular Weight:
345.4161
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Product Description
Catalog Number:
AG01BECZ
Chemical Name:
1-{6-[(3-methoxyphenyl)sulfanyl]pyridazin-3-yl}piperidine-3-carboxylic acid
CAS Number:
1803571-15-4
Molecular Formula:
C17H19N3O3S
Molecular Weight:
345.4161
MDL Number:
MFCD28118329
IUPAC Name:
1-[6-(3-methoxyphenyl)sulfanylpyridazin-3-yl]piperidine-3-carboxylic acid
InChI:
InChI=1S/C17H19N3O3S/c1-23-13-5-2-6-14(10-13)24-16-8-7-15(18-19-16)20-9-3-4-12(11-20)17(21)22/h2,5-8,10,12H,3-4,9,11H2,1H3,(H,21,22)
InChI Key:
VEIHPGHMYHDOBU-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)Sc1ccc(nn1)N1CCCC(C1)C(=O)O
Properties
Complexity:
426  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.115g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
345.417g/mol
Monoisotopic Mass:
345.115g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties