200,000+ products from a single source!
sales@angenechem.com
Home > Carboxes > 1017117-60-0
1017117-60-0 | 1-(6-Thien-2-ylpyridazin-3-yl)piperidine-4-carboxylic acid
CAS No: 1017117-60-0 Catalog No: AG01FLTI MDL No:MFCD09881929
Product Description
Catalog Number:
AG01FLTI
Chemical Name:
1-(6-Thien-2-ylpyridazin-3-yl)piperidine-4-carboxylic acid
CAS Number:
1017117-60-0
Molecular Formula:
C14H15N3O2S
Molecular Weight:
289.3528
MDL Number:
MFCD09881929
IUPAC Name:
1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxylic acid
InChI:
InChI=1S/C14H15N3O2S/c18-14(19)10-5-7-17(8-6-10)13-4-3-11(15-16-13)12-2-1-9-20-12/h1-4,9-10H,5-8H2,(H,18,19)
InChI Key:
IOMQGUSDJPKDLT-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCN(CC1)c1ccc(nn1)c1cccs1
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.088g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
289.353g/mol
Monoisotopic Mass:
289.088g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
94.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.