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89081-60-7 | 1H-1,2,4-Triazole, 1-[[2-(4-methoxyphenyl)-2-thiazolidinyl]methyl]-
CAS No: 89081-60-7 Catalog No: AG00408O MDL No:
Product Description
Catalog Number:
AG00408O
Chemical Name:
1H-1,2,4-Triazole, 1-[[2-(4-methoxyphenyl)-2-thiazolidinyl]methyl]-
CAS Number:
89081-60-7
Molecular Formula:
C13H16N4OS
Molecular Weight:
276.3573
IUPAC Name:
2-(4-methoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-thiazolidine
InChI:
InChI=1S/C13H16N4OS/c1-18-12-4-2-11(3-5-12)13(15-6-7-19-13)8-17-10-14-9-16-17/h2-5,9-10,15H,6-8H2,1H3
InChI Key:
JVHKHYWAEDTHRH-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C1(NCCS1)Cn1cncn1
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.104g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.358g/mol
Monoisotopic Mass:
276.104g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
77.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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