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30760-79-3 | [2,4'-Bithiazole]-4-carboxylic acid, 2'-[2-(benzoylamino)ethyl]-, ethyl ester
CAS No: 30760-79-3 Catalog No: AG003177 MDL No:
Product Description
Catalog Number:
AG003177
Chemical Name:
[2,4'-Bithiazole]-4-carboxylic acid, 2'-[2-(benzoylamino)ethyl]-, ethyl ester
CAS Number:
30760-79-3
Molecular Formula:
C18H17N3O3S2
Molecular Weight:
387.4759
IUPAC Name:
ethyl 2-[2-(2-benzamidoethyl)-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylate
InChI:
InChI=1S/C18H17N3O3S2/c1-2-24-18(23)14-11-26-17(21-14)13-10-25-15(20-13)8-9-19-16(22)12-6-4-3-5-7-12/h3-7,10-11H,2,8-9H2,1H3,(H,19,22)
InChI Key:
CYSBXYHRQLJFCV-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1csc(n1)c1csc(n1)CCNC(=O)c1ccccc1
NSC Number:
143140
Properties
Complexity:
488
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
387.071g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
387.472g/mol
Monoisotopic Mass:
387.071g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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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