SMILES:
COCCc1nc2cnc3cc(Br)ccc3c2n1CCCN1CCCC1=OMolecular Processing
Molecular formula
C20H23BrN4O2
Molecular weight
431.33
Exact mass
430.1004
XLogP
3.55
TPSA
60.25
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
27
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.45
Molar refractivity
108.75
Supplementary Information
Details werden geladen…
An 2 Reaktionen beteiligt→