Home Carboxys tert-butyl4-((3-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)phenyl)carbaMoyl)piperazine-1-carboxylate

tert-butyl4-((3-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)phenyl)carbaMoyl)piperazine-1-carboxylate

CAS No.:
1704081-91-3
Catalog Number:
AG00ARU5
Molecular Formula:
C22H34BN3O5
Molecular Weight:
431.3335
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Product Description
Catalog Number:
AG00ARU5
Chemical Name:
tert-butyl4-((3-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)phenyl)carbaMoyl)piperazine-1-carboxylate
CAS Number:
1704081-91-3
Molecular Formula:
C22H34BN3O5
Molecular Weight:
431.3335
MDL Number:
MFCD28902487
IUPAC Name:
tert-butyl 4-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamoyl]piperazine-1-carboxylate
InChI:
InChI=1S/C22H34BN3O5/c1-20(2,3)29-19(28)26-13-11-25(12-14-26)18(27)24-17-10-8-9-16(15-17)23-30-21(4,5)22(6,7)31-23/h8-10,15H,11-14H2,1-7H3,(H,24,27)
InChI Key:
ILUJRFJLILNJPU-UHFFFAOYSA-N
SMILES:
O=C(N1CCN(CC1)C(=O)OC(C)(C)C)Nc1cccc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
655  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
431.259g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
431.34g/mol
Monoisotopic Mass:
431.259g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
80.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties