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860787-87-7 | N-[(2E)-1-[(4-methylphenyl)methyl]-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]benzenesulfonamide
CAS No: 860787-87-7 Catalog No: AG00IXI9 MDL No:MFCD05668742
Product Description
Catalog Number:
AG00IXI9
Chemical Name:
N-[(2E)-1-[(4-methylphenyl)methyl]-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]benzenesulfonamide
CAS Number:
860787-87-7
Molecular Formula:
C21H19N3O2S
Molecular Weight:
377.4595
MDL Number:
MFCD05668742
IUPAC Name:
N-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]benzenesulfonamide
InChI:
InChI=1S/C21H19N3O2S/c1-16-11-13-17(14-12-16)15-24-20-10-6-5-9-19(20)22-21(24)23-27(25,26)18-7-3-2-4-8-18/h2-14H,15H2,1H3,(H,22,23)
InChI Key:
UTTJUMUSSCYMEV-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)Cn1/c(=N/S(=O)(=O)c2ccccc2)/[nH]c2c1cccc2
Properties
Complexity:
577
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
377.12g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
377.462g/mol
Monoisotopic Mass:
377.12g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
72.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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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