CC(Oc1nc(Cl)cc2nc(N3CCOC[C@H]3c3ccccc3)n(C[C@H]3CC[C@H](C)CC3)c12)C1CCC1
SMILES: CC(Oc1nc(Cl)cc2nc(N3CCOC[C@H]3c3ccccc3)n(C[C@H]3CC[C@H](C)CC3)c12)C1CCC1

Molecular Processing

Molecular formula
C30H39ClN4O2
Molecular weight
523.12
Exact mass
522.2762
XLogP
7.06
TPSA
52.41
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
37
Rings
6
Aromatic rings
3
Saturated rings
3
Aliphatic rings
3
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.6
Molar refractivity
148.44

Supplementary Information

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