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866136-77-8 | 6-[(4-ethyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methoxy]-2-phenyl-2,3-dihydropyridazin-3-one
CAS No: 866136-77-8 Catalog No: AG00IZ0L MDL No:MFCD04126098
Product Description
Catalog Number:
AG00IZ0L
Chemical Name:
6-[(4-ethyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methoxy]-2-phenyl-2,3-dihydropyridazin-3-one
CAS Number:
866136-77-8
Molecular Formula:
C15H15N5O2S
Molecular Weight:
329.3769
MDL Number:
MFCD04126098
IUPAC Name:
6-[(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methoxy]-2-phenylpyridazin-3-one
InChI:
InChI=1S/C15H15N5O2S/c1-2-19-12(16-17-15(19)23)10-22-13-8-9-14(21)20(18-13)11-6-4-3-5-7-11/h3-9H,2,10H2,1H3,(H,17,23)
InChI Key:
TWTUWKBNPUWORE-UHFFFAOYSA-N
SMILES:
CCn1c(COc2ccc(=O)n(n2)c2ccccc2)nnc1S
Properties
Complexity:
580
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.095g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
329.378g/mol
Monoisotopic Mass:
329.095g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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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