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864754-14-3

864754-14-3 | 1H-1,4-Diazepine-1-carboxylicacid, hexahydro-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]-,1,1-dimethylethyl ester

CAS No: 864754-14-3 Catalog No: AG004WHQ MDL No:

Product Description

Catalog Number:
AG004WHQ
Chemical Name:
1H-1,4-Diazepine-1-carboxylicacid, hexahydro-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]-,1,1-dimethylethyl ester
CAS Number:
864754-14-3
Molecular Formula:
C23H35BN2O5
Molecular Weight:
430.3454
IUPAC Name:
tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]-1,4-diazepane-1-carboxylate
InChI:
InChI=1S/C23H35BN2O5/c1-21(2,3)29-20(28)26-14-8-13-25(15-16-26)19(27)17-9-11-18(12-10-17)24-30-22(4,5)23(6,7)31-24/h9-12H,8,13-16H2,1-7H3
InChI Key:
SSAVSFMVAQYPMG-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)B1OC(C(O1)(C)C)(C)C)N1CCCN(CC1)C(=O)OC(C)(C)C

Properties

Complexity:
651  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
430.264g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
430.352g/mol
Monoisotopic Mass:
430.264g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
68.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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