C#Cc1cccc(C2(NC[C@@H](O)[C@H](Cc3cc(F)cc(F)c3)NC(=O)c3cc(CN(C)CCCC)cc(-c4ncco4)c3)CC2)c1.Cl.Cl
SMILES: C#Cc1cccc(C2(NC[C@@H](O)[C@H](Cc3cc(F)cc(F)c3)NC(=O)c3cc(CN(C)CCCC)cc(-c4ncco4)c3)CC2)c1.Cl.Cl

Molecular Processing

Molecular formula
C37H42Cl2F2N4O3
Molecular weight
699.67
Exact mass
698.2602
XLogP
6.66
TPSA
90.63
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
15
Heavy atoms
48
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
3
Fraction Csp3
0.351
Molar refractivity
188.29

Supplementary Information

Récupération des détails…

Impliqué dans 2 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→