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183288-43-9 | 1-Piperazinecarboxylic acid, 4-[2-(ethoxycarbonyl)-5-benzofuranyl]-, 1,1-dimethylethyl ester
CAS No: 183288-43-9 Catalog No: AG0027GH MDL No:MFCD21607421
Product Description
Catalog Number:
AG0027GH
Chemical Name:
1-Piperazinecarboxylic acid, 4-[2-(ethoxycarbonyl)-5-benzofuranyl]-, 1,1-dimethylethyl ester
CAS Number:
183288-43-9
Molecular Formula:
C20H26N2O5
Molecular Weight:
374.4308
MDL Number:
MFCD21607421
IUPAC Name:
tert-butyl 4-(2-ethoxycarbonyl-1-benzofuran-5-yl)piperazine-1-carboxylate
InChI:
InChI=1S/C20H26N2O5/c1-5-25-18(23)17-13-14-12-15(6-7-16(14)26-17)21-8-10-22(11-9-21)19(24)27-20(2,3)4/h6-7,12-13H,5,8-11H2,1-4H3
InChI Key:
UGJBHBXXMCVEIH-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc2c(o1)ccc(c2)N1CCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
539
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.184g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
374.437g/mol
Monoisotopic Mass:
374.184g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
72.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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