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590379-26-3 | 3-Thiazolidinecarbothioamide,2-[4-(3-hydroxy-3-methyl-1-butynyl)phenyl]-N-(4-methoxyphenyl)-(9CI)
CAS No: 590379-26-3 Catalog No: AG00F2XI MDL No:
Product Description
Catalog Number:
AG00F2XI
Chemical Name:
3-Thiazolidinecarbothioamide,2-[4-(3-hydroxy-3-methyl-1-butynyl)phenyl]-N-(4-methoxyphenyl)-(9CI)
CAS Number:
590379-26-3
IUPAC Name:
2-[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]-N-(4-methoxyphenyl)-1,3-thiazolidine-3-carbothioamide
InChI:
InChI=1S/C22H24N2O2S2/c1-22(2,25)13-12-16-4-6-17(7-5-16)20-24(14-15-28-20)21(27)23-18-8-10-19(26-3)11-9-18/h4-11,20,25H,14-15H2,1-3H3,(H,23,27)
InChI Key:
ZPMMELRRZIQEGJ-UHFFFAOYSA-N
Properties
Complexity:
596
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
412.128g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
412.566g/mol
Monoisotopic Mass:
412.128g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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