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Home > Pyridines > 242472-20-4
242472-20-4 | 1-benzyl-3-[4-(prop-2-en-1-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]-1,2-dihydropyridin-2-one
CAS No: 242472-20-4 Catalog No: AG00IMXP MDL No:MFCD00140474
Product Description
Catalog Number:
AG00IMXP
Chemical Name:
1-benzyl-3-[4-(prop-2-en-1-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]-1,2-dihydropyridin-2-one
CAS Number:
242472-20-4
Molecular Formula:
C17H16N4OS
Molecular Weight:
324.4001
MDL Number:
MFCD00140474
IUPAC Name:
1-benzyl-3-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)pyridin-2-one
InChI:
InChI=1S/C17H16N4OS/c1-2-10-21-15(18-19-17(21)23)14-9-6-11-20(16(14)22)12-13-7-4-3-5-8-13/h2-9,11H,1,10,12H2,(H,19,23)
InChI Key:
PFZIBZCJSVFLGE-UHFFFAOYSA-N
SMILES:
C=CCn1c(S)nnc1c1cccn(c1=O)Cc1ccccc1
Properties
Complexity:
602
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.104g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
324.402g/mol
Monoisotopic Mass:
324.104g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
80A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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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