O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)CN(Cc2ccccn2)C1=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1
SMILES: O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)CN(Cc2ccccn2)C1=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1

Molecular Processing

Molecular formula
C30H31F2N7O3
Molecular weight
575.62
Exact mass
575.2456
XLogP
3.72
TPSA
116.22
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
42
Rings
6
Aromatic rings
4
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.367
Molar refractivity
150.5

Supplementary Information

Récupération des détails…

Impliqué dans 6 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→