SMILES:
COc1nc(NCCNc2ncc(-c3ncc[nH]3)c(-c3ccc(Cl)cc3Cl)n2)ccc1C#NMolecular Processing
Molecular formula
C22H18Cl2N8O
Molecular weight
481.35
Exact mass
480.0981
XLogP
4.64
TPSA
124.43
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
33
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.136
Molar refractivity
127.55
Supplementary Information
Récupération des détails…
Impliqué dans 10 réactions→