SMILES:
Clc1ccc(Nc2cc(N3CCC4(CC3)OCCO4)nc(N3CCN(Cc4ccccc4)CC3)n2)cc1ClMolecular Processing
Molecular formula
C28H32Cl2N6O2
Molecular weight
555.51
Exact mass
554.1964
XLogP
5.19
TPSA
65.99
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
38
Rings
6
Aromatic rings
3
Saturated rings
3
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
151.79
Supplementary Information
Récupération des détails…
Impliqué dans 4 réactions→