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89081-61-8 | 1H-1,2,4-Triazole, 1-[(2-[1,1'-biphenyl]-4-yl-2-thiazolidinyl)methyl]-
CAS No: 89081-61-8 Catalog No: AG0040LT MDL No:
Product Description
Catalog Number:
AG0040LT
Chemical Name:
1H-1,2,4-Triazole, 1-[(2-[1,1'-biphenyl]-4-yl-2-thiazolidinyl)methyl]-
CAS Number:
89081-61-8
Molecular Formula:
C18H18N4S
Molecular Weight:
322.4273
IUPAC Name:
2-(4-phenylphenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-thiazolidine
InChI:
InChI=1S/C18H18N4S/c1-2-4-15(5-3-1)16-6-8-17(9-7-16)18(20-10-11-23-18)12-22-14-19-13-21-22/h1-9,13-14,20H,10-12H2
InChI Key:
DDXOZUYAGWDGAT-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1ccc(cc1)C1(NCCS1)Cn1cncn1
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.125g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
322.43g/mol
Monoisotopic Mass:
322.125g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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