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101516-99-8 | Glycine, N-[[[(4-hydroxy-3-methoxyphenyl)methyl]amino]thioxomethyl]-, butyl ester
CAS No: 101516-99-8 Catalog No: AG0004OV MDL No:
Product Description
Catalog Number:
AG0004OV
Chemical Name:
Glycine, N-[[[(4-hydroxy-3-methoxyphenyl)methyl]amino]thioxomethyl]-, butyl ester
CAS Number:
101516-99-8
Molecular Formula:
C15H22N2O4S
Molecular Weight:
326.4112
IUPAC Name:
butyl 2-[(4-hydroxy-3-methoxyphenyl)methylcarbamothioylamino]acetate
InChI:
InChI=1S/C15H22N2O4S/c1-3-4-7-21-14(19)10-17-15(22)16-9-11-5-6-12(18)13(8-11)20-2/h5-6,8,18H,3-4,7,9-10H2,1-2H3,(H2,16,17,22)
InChI Key:
COVOCBUNANFHCK-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)CNC(=S)NCc1ccc(c(c1)OC)O
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.13g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
326.411g/mol
Monoisotopic Mass:
326.13g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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