SMILES:
CCC(C)n1cc(C)c2c(C(=O)NCc3c(C)cc(C)[nH]c3=O)cc(Br)cc21Molecular Processing
Molecular formula
C22H26BrN3O2
Molecular weight
444.37
Exact mass
443.1208
XLogP
4.92
TPSA
66.89
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
28
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
117.08
Supplementary Information
Загрузка подробностей…
Участвует в 22 реакциях→