200,000+ products from a single source!
sales@angenechem.com
Home > Imidazoles > 400084-37-9
400084-37-9 | 3-(4-methoxyphenyl)-7-methyl-7-phenyl-hexahydro-1H-imidazo[1,5-b][1,2,4]triazole-2,5-dithione
CAS No: 400084-37-9 Catalog No: AG00IUD2 MDL No:MFCD01871510
Product Description
Catalog Number:
AG00IUD2
Chemical Name:
3-(4-methoxyphenyl)-7-methyl-7-phenyl-hexahydro-1H-imidazo[1,5-b][1,2,4]triazole-2,5-dithione
CAS Number:
400084-37-9
Molecular Formula:
C18H18N4OS2
Molecular Weight:
370.4917
MDL Number:
MFCD01871510
IUPAC Name:
3-(4-methoxyphenyl)-7-methyl-7-phenyl-6,7a-dihydro-1H-imidazo[1,5-b][1,2,4]triazole-2,5-dithione
InChI:
InChI=1S/C18H18N4OS2/c1-18(12-6-4-3-5-7-12)15-19-16(24)21(22(15)17(25)20-18)13-8-10-14(23-2)11-9-13/h3-11,15H,1-2H3,(H,19,24)(H,20,25)
InChI Key:
VYVXBEFYZHTMSX-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)N1C(=S)NC2N1C(=S)NC2(C)c1ccccc1
Properties
Complexity:
545
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.092g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
370.489g/mol
Monoisotopic Mass:
370.092g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.