SMILES:
CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(Br)c3)cn2)CC1Molecular Processing
Molecular formula
C18H23BrN4O2
Molecular weight
407.31
Exact mass
406.1004
XLogP
4.28
TPSA
60.25
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
25
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
99.24
Supplementary Information
Details werden geladen…
An 8 Reaktionen beteiligt→