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26130-02-9 | Urea, N-(6-methoxy-2-benzothiazolyl)-N'-phenyl-
CAS No: 26130-02-9 Catalog No: AG002RSA MDL No:MFCD00030234
Product Description
Catalog Number:
AG002RSA
Chemical Name:
Urea, N-(6-methoxy-2-benzothiazolyl)-N'-phenyl-
CAS Number:
26130-02-9
Molecular Formula:
C15H13N3O2S
Molecular Weight:
299.3476
MDL Number:
MFCD00030234
IUPAC Name:
1-(6-methoxy-1,3-benzothiazol-2-yl)-3-phenylurea
InChI:
InChI=1S/C15H13N3O2S/c1-20-11-7-8-12-13(9-11)21-15(17-12)18-14(19)16-10-5-3-2-4-6-10/h2-9H,1H3,(H2,16,17,18,19)
InChI Key:
JHBWYQRKOUBPCA-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)sc(n2)NC(=O)Nc1ccccc1
UNII:
7EY946394I
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.073g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
299.348g/mol
Monoisotopic Mass:
299.073g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
91.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Literature
| Title | Journal |
|---|---|
| Identification of small-molecule inhibitors of the Abeta-ABAD interaction. | Bioorganic & medicinal chemistry letters 20060901 |
| 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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