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785792-36-1 | 4-{2-[4-oxo-2-(piperidin-1-yl)-4,5-dihydro-1,3-thiazol-5-yl]acetamido}benzoic acid
CAS No: 785792-36-1 Catalog No: AG019JWX MDL No:MFCD06350990
Product Description
Catalog Number:
AG019JWX
Chemical Name:
4-{2-[4-oxo-2-(piperidin-1-yl)-4,5-dihydro-1,3-thiazol-5-yl]acetamido}benzoic acid
CAS Number:
785792-36-1
Molecular Formula:
C17H19N3O4S
Molecular Weight:
361.4155
MDL Number:
MFCD06350990
IUPAC Name:
4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzoic acid
InChI:
InChI=1S/C17H19N3O4S/c21-14(18-12-6-4-11(5-7-12)16(23)24)10-13-15(22)19-17(25-13)20-8-2-1-3-9-20/h4-7,13H,1-3,8-10H2,(H,18,21)(H,23,24)
InChI Key:
UVNKGGGHQLLTDY-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1)C(=O)O)CC1SC(=NC1=O)N1CCCCC1
Properties
Complexity:
566
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
361.11g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
361.416g/mol
Monoisotopic Mass:
361.11g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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