Cc1cc2cc(-c3cncn3C)ccc2c(-c2ccc(Cl)cc2)c1[C@H](OC(C)(C)C)C(=O)O
SMILES: Cc1cc2cc(-c3cncn3C)ccc2c(-c2ccc(Cl)cc2)c1[C@H](OC(C)(C)C)C(=O)O

Molecular Processing

Molecular formula
C27H27ClN2O3
Molecular weight
462.98
Exact mass
462.171
XLogP
6.81
TPSA
64.35
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
33
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.259
Molar refractivity
132.55

Supplementary Information

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