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767610-58-2 | Benzenecarboximidamide, N-1,2-benzisothiazol-3-yl-4-chloro-
CAS No: 767610-58-2 Catalog No: AG005ABI MDL No:
Product Description
Catalog Number:
AG005ABI
Chemical Name:
Benzenecarboximidamide, N-1,2-benzisothiazol-3-yl-4-chloro-
CAS Number:
767610-58-2
Molecular Formula:
C14H10ClN3S
Molecular Weight:
287.7673
IUPAC Name:
N'-(1,2-benzothiazol-3-yl)-4-chlorobenzenecarboximidamide
InChI:
InChI=1S/C14H10ClN3S/c15-10-7-5-9(6-8-10)13(16)17-14-11-3-1-2-4-12(11)19-18-14/h1-8H,(H2,16,17,18)
InChI Key:
UKNVRLOCGQJCCC-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C(=N)Nc1nsc2c1cccc2
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.028g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
287.765g/mol
Monoisotopic Mass:
287.028g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
79.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
Literature
| Title | Journal |
|---|---|
| Molecular modeling of binding between amidinobenzisothiazoles, with antidegenerative activity on cartilage, and matrix metalloproteinase-3. | Bioorganic & medicinal chemistry 20070201 |
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