SMILES:
CCOCc1nc2c(N)nc3cc(Br)ccc3c2n1CC1CCCCC1Molecular Processing
Molecular formula
C20H25BrN4O
Molecular weight
417.35
Exact mass
416.1212
XLogP
5.05
TPSA
65.96
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
26
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
109.05
Supplementary Information
Details werden geladen…
An 2 Reaktionen beteiligt→