Home Other Building Blocks 3-(4-methylphenyl)-5-({[4-(4-methylphenyl)-5-(pyrrolidin-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazole

3-(4-methylphenyl)-5-({[4-(4-methylphenyl)-5-(pyrrolidin-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazole

CAS No.:
920829-44-3
Catalog Number:
AG01E2TK
Molecular Formula:
C23H24N6OS
Molecular Weight:
432.5413
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Product Description
Catalog Number:
AG01E2TK
Chemical Name:
3-(4-methylphenyl)-5-({[4-(4-methylphenyl)-5-(pyrrolidin-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazole
CAS Number:
920829-44-3
Molecular Formula:
C23H24N6OS
Molecular Weight:
432.5413
MDL Number:
MFCD08862369
IUPAC Name:
3-(4-methylphenyl)-5-[[4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole
InChI:
InChI=1S/C23H24N6OS/c1-16-5-9-18(10-6-16)21-24-20(30-27-21)15-31-23-26-25-22(28-13-3-4-14-28)29(23)19-11-7-17(2)8-12-19/h5-12H,3-4,13-15H2,1-2H3
InChI Key:
RZEQKCPCRTWBBM-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1noc(n1)CSc1nnc(n1c1ccc(cc1)C)N1CCCC1
Properties
Complexity:
562  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
432.173g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
432.546g/mol
Monoisotopic Mass:
432.173g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
98.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5  
Properties