Home Carboxys 1-Piperazinecarboxylic acid, 4-[2-(aminocarbonyl)-5-benzofuranyl]-, 1,1-dimethylethyl ester

1-Piperazinecarboxylic acid, 4-[2-(aminocarbonyl)-5-benzofuranyl]-, 1,1-dimethylethyl ester

CAS No.:
183288-44-0
Catalog Number:
AG0027GG
Molecular Formula:
C18H23N3O4
Molecular Weight:
345.3929
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Product Description
Catalog Number:
AG0027GG
Chemical Name:
1-Piperazinecarboxylic acid, 4-[2-(aminocarbonyl)-5-benzofuranyl]-, 1,1-dimethylethyl ester
CAS Number:
183288-44-0
Molecular Formula:
C18H23N3O4
Molecular Weight:
345.3929
MDL Number:
MFCD22208558
IUPAC Name:
tert-butyl 4-(2-carbamoyl-1-benzofuran-5-yl)piperazine-1-carboxylate
InChI:
InChI=1S/C18H23N3O4/c1-18(2,3)25-17(23)21-8-6-20(7-9-21)13-4-5-14-12(10-13)11-15(24-14)16(19)22/h4-5,10-11H,6-9H2,1-3H3,(H2,19,22)
InChI Key:
RXWUUFACDXGVIO-UHFFFAOYSA-N
SMILES:
O=C(N1CCN(CC1)c1ccc2c(c1)cc(o2)C(=O)N)OC(C)(C)C
Properties
Complexity:
511  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.169g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
345.399g/mol
Monoisotopic Mass:
345.169g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
89A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties