CC(C)(C)OC(=O)N1C2CCC1CN(C2)C3=CC=C(C=C3)Br
Nombre: tert-butyl 3-(4-bromophenyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
SMILES: CC(C)(C)OC(=O)N1C2CCC1CN(C2)C3=CC=C(C=C3)Br

Molecular Processing

Molecular formula
C17H23BrN2O2
Molecular weight
367.29
Exact mass
366.0943
XLogP
4.04
TPSA
32.78
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
22
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.588
Molar refractivity
91.24

Supplementary Information

InChIKey: UCWMHQZKWCGATR-UHFFFAOYSA-N
Sinónimos
SCHEMBL2450967UCWMHQZKWCGATR-UHFFFAOYSA-N3-(4-Bromophenyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxylic acid tert-butyl ester
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