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3434-24-0 | 1-benzyl-2-(butylsulfanyl)-5,6-dihydro-1h-imidazo[4,5-d]pyridazine-4,7-dione
CAS No: 3434-24-0 Catalog No: AG007FYJ MDL No:
Product Description
Catalog Number:
AG007FYJ
Chemical Name:
1-benzyl-2-(butylsulfanyl)-5,6-dihydro-1h-imidazo[4,5-d]pyridazine-4,7-dione
CAS Number:
3434-24-0
Molecular Formula:
C16H18N4O2S
Molecular Weight:
330.4047
IUPAC Name:
3-benzyl-2-butylsulfanyl-5,6-dihydroimidazo[4,5-d]pyridazine-4,7-dione
InChI:
InChI=1S/C16H18N4O2S/c1-2-3-9-23-16-17-12-13(15(22)19-18-14(12)21)20(16)10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3,(H,18,21)(H,19,22)
InChI Key:
KVUMLIVRLQVRNW-UHFFFAOYSA-N
SMILES:
CCCCSc1nc2c(n1Cc1ccccc1)c(=O)[nH][nH]c2=O
UNII:
ZA5TVD7MX5
NSC Number:
96386
Properties
Complexity:
442
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.115g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
330.406g/mol
Monoisotopic Mass:
330.115g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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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