CC(C)(C)OC(=O)n1c(-c2ccc(Cl)c3c2C(=O)NC3)cc2cc(CN3CCN(c4ncccn4)CC3)ccc21
SMILES: CC(C)(C)OC(=O)n1c(-c2ccc(Cl)c3c2C(=O)NC3)cc2cc(CN3CCN(c4ncccn4)CC3)ccc21

Molecular Processing

Molecular formula
C30H31ClN6O3
Molecular weight
559.07
Exact mass
558.2146
XLogP
5.1
TPSA
92.59
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
40
Rings
6
Aromatic rings
4
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
154.71

Supplementary Information

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