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Home > Pyridines > 1841460-82-9
1841460-82-9 | 4-[[4-(Phenylmethyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]thio]-pyrido[3',2'
CAS No: 1841460-82-9 Catalog No: AG01ENJ2 MDL No:
Product Description
Catalog Number:
AG01ENJ2
Chemical Name:
4-[[4-(Phenylmethyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]thio]-pyrido[3',2'
CAS Number:
1841460-82-9
Molecular Formula:
C23H15N7S2
Molecular Weight:
453.5421
IUPAC Name:
6-[(4-benzyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
InChI:
InChI=1S/C23H15N7S2/c1-2-5-15(6-3-1)13-30-20(16-8-11-24-12-9-16)28-29-23(30)32-22-19-18(26-14-27-22)17-7-4-10-25-21(17)31-19/h1-12,14H,13H2
InChI Key:
CBBXTGWSGPEJEE-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)Cn1c(nnc1c1ccncc1)Sc1ncnc2c1sc1c2cccn1
Properties
Complexity:
615
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
453.083g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
453.542g/mol
Monoisotopic Mass:
453.083g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
136A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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