CCOc1cc(C(C)(C)C)ncc1C1=NC(C)(c2ccc(Cl)cc2)C(C)(c2ccc(Cl)cc2)N1C(=O)Cl
SMILES: CCOc1cc(C(C)(C)C)ncc1C1=NC(C)(c2ccc(Cl)cc2)C(C)(c2ccc(Cl)cc2)N1C(=O)Cl

Molecular Processing

Molecular formula
C29H30Cl3N3O2
Molecular weight
558.94
Exact mass
557.1404
XLogP
8.34
TPSA
54.79
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
37
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.345
Molar refractivity
151.34

Supplementary Information

Récupération des détails…

Impliqué dans 78 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→