SMILES:
Cc1cc(C#N)cc(C)c1Oc1nc(Nc2ccc(C#N)cc2)nc(NCCN2CCCC2)c1Br.ClMolecular Processing
Molecular formula
C26H27BrClN7O
Molecular weight
568.91
Exact mass
567.1149
XLogP
6.06
TPSA
109.89
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
36
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
2
Fraction Csp3
0.308
Molar refractivity
146.29
Supplementary Information
Details werden geladen…
An 8 Reaktionen beteiligt→