CC(C)c1ccnc(-c2nc3cc(C#N)nc(-c4cncc(Cl)c4)c3n2C[C@H]2CC[C@H](C)CC2)c1
SMILES: CC(C)c1ccnc(-c2nc3cc(C#N)nc(-c4cncc(Cl)c4)c3n2C[C@H]2CC[C@H](C)CC2)c1

Molecular Processing

Molecular formula
C28H29ClN6
Molecular weight
485.04
Exact mass
484.2142
XLogP
7.03
TPSA
80.28
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
35
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.393
Molar refractivity
138.93

Supplementary Information

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