C[C@H](NC(c1ccc(-n2cncn2)cc1)C(C)(C)C#N)[C@@H](Cc1ccc(Cl)cc1)c1cccc(C#N)c1
SMILES: C[C@H](NC(c1ccc(-n2cncn2)cc1)C(C)(C)C#N)[C@@H](Cc1ccc(Cl)cc1)c1cccc(C#N)c1

Molecular Processing

Molecular formula
C30H29ClN6
Molecular weight
509.06
Exact mass
508.2142
XLogP
6.39
TPSA
90.32
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
37
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
3
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.267
Molar refractivity
145.15

Supplementary Information

Récupération des détails…

Impliqué dans 1 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→