CC(=O)N1C[C@H]2CC(c3ccc(OCCOc4cc(F)ccc4Cl)cc3)=C(C(=O)N(Cc3cc4c(cc3Cl)OCO4)C3CC3)[C@@H](C1)N2.O=CO
SMILES: CC(=O)N1C[C@H]2CC(c3ccc(OCCOc4cc(F)ccc4Cl)cc3)=C(C(=O)N(Cc3cc4c(cc3Cl)OCO4)C3CC3)[C@@H](C1)N2.O=CO

Molecular Processing

Molecular formula
C36H36Cl2FN3O8
Molecular weight
728.6
Exact mass
727.1863
XLogP
5.56
TPSA
126.87
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
10
Heavy atoms
50
Rings
7
Aromatic rings
3
Saturated rings
2
Aliphatic rings
4
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
14
Covalent units
2
Fraction Csp3
0.361
Molar refractivity
183.18

Supplementary Information

Récupération des détails…

Impliqué dans 1 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→