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tert-butyl 4-(6-bromopyridin-2-yl)-1,4-diazepane-1-carboxylate

tert-butyl 4-(6-bromopyridin-2-yl)-1,4-diazepane-1-carboxylate

CAS: 1152093-60-1

Formula: C15H22BrN3O2

SMILES: CC(C)(C)OC(=O)N1CCCN(CC1)C1=NC(Br)=CC=C1

IUPAC: tert-butyl 4-(6-bromopyridin-2-yl)-1,4-diazepane-1-carboxylate

InChI: InChI=1S/C15H22BrN3O2/c1-15(2,3)21-14(20)19-9-5-8-18(10-11-19)13-7-4-6-12(16)17-13/h4,6-7H,5,8-11H2,1-3H3

Composition: C (50.57%), H (6.22%), Br (22.43%), N (11.79%), O (8.98%)

Molar Mass: 356.264

Atom Count: 43

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 355.08954
Formal Charge 0
FSP3 0.6
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey WTJNRJLORZEVNB-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 87.72
Topological Polar Surface Area 45.67
Polarizability 33.04
Ring Count 2
Rotatable Bond Count 3

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