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329234-95-9 | 1-benzyl-3-(4-ethyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-1,2-dihydropyridin-2-one
CAS No: 329234-95-9 Catalog No: AG00IMY6 MDL No:MFCD00141389
Product Description
Catalog Number:
AG00IMY6
Chemical Name:
1-benzyl-3-(4-ethyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-1,2-dihydropyridin-2-one
CAS Number:
329234-95-9
Molecular Formula:
C16H16N4OS
Molecular Weight:
312.3894
MDL Number:
MFCD00141389
IUPAC Name:
1-benzyl-3-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)pyridin-2-one
InChI:
InChI=1S/C16H16N4OS/c1-2-20-14(17-18-16(20)22)13-9-6-10-19(15(13)21)11-12-7-4-3-5-8-12/h3-10H,2,11H2,1H3,(H,18,22)
InChI Key:
JQFVCTHLTWZLJL-UHFFFAOYSA-N
SMILES:
CCn1c(S)nnc1c1cccn(c1=O)Cc1ccccc1
Properties
Complexity:
561
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.104g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
312.391g/mol
Monoisotopic Mass:
312.104g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
80A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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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