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182128-52-5 | 7-chloro-N-(3-chlorophenyl)-3,4-dihydro-2H-1,4-benzothiazine-4-carboxamide
CAS No: 182128-52-5 Catalog No: AG00IUIM MDL No:MFCD00138839
Product Description
Catalog Number:
AG00IUIM
Chemical Name:
7-chloro-N-(3-chlorophenyl)-3,4-dihydro-2H-1,4-benzothiazine-4-carboxamide
CAS Number:
182128-52-5
Molecular Formula:
C15H12Cl2N2OS
Molecular Weight:
339.2396
MDL Number:
MFCD00138839
IUPAC Name:
7-chloro-N-(3-chlorophenyl)-2,3-dihydro-1,4-benzothiazine-4-carboxamide
InChI:
InChI=1S/C15H12Cl2N2OS/c16-10-2-1-3-12(8-10)18-15(20)19-6-7-21-14-9-11(17)4-5-13(14)19/h1-5,8-9H,6-7H2,(H,18,20)
InChI Key:
XQAMKQUWTISIDE-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)SCCN2C(=O)Nc1cccc(c1)Cl
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.005g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
339.234g/mol
Monoisotopic Mass:
338.005g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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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