CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)C(n4cnc5c(Cl)ncnc54)=C(C=O)C[C@@H]32)C1
SMILES: CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)C(n4cnc5c(Cl)ncnc54)=C(C=O)C[C@@H]32)C1

Molecular Processing

Molecular formula
C27H31ClN4O3
Molecular weight
495.02
Exact mass
494.2085
XLogP
5.39
TPSA
86.97
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
35
Rings
6
Aromatic rings
2
Saturated rings
2
Aliphatic rings
4
Stereo centers
6
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.593
Molar refractivity
132.25

Supplementary Information

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