COc1cccc(CN(C(=O)C2=C(c3ccc(OCCOc4cc(F)ccc4Cl)cc3)C[C@@H]3CN(C(C)=O)C[C@H]2N3)C2CC2)c1.O=CO
SMILES: COc1cccc(CN(C(=O)C2=C(c3ccc(OCCOc4cc(F)ccc4Cl)cc3)C[C@@H]3CN(C(C)=O)C[C@H]2N3)C2CC2)c1.O=CO

Molecular Processing

Molecular formula
C36H39ClFN3O7
Molecular weight
680.17
Exact mass
679.2461
XLogP
5.18
TPSA
117.64
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
11
Heavy atoms
48
Rings
6
Aromatic rings
3
Saturated rings
2
Aliphatic rings
3
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
2
Fraction Csp3
0.361
Molar refractivity
178.6

Supplementary Information

Récupération des détails…

Impliqué dans 1 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→