CN1C=CCC(C(=O)Oc2cccc3c2[C@H]2CC[C@]4(C)[C@@H](OC(=O)C5=CN(C)C=CC5)CC[C@H]4[C@@H]2CC3)=C1
SMILES: CN1C=CCC(C(=O)Oc2cccc3c2[C@H]2CC[C@]4(C)[C@@H](OC(=O)C5=CN(C)C=CC5)CC[C@H]4[C@@H]2CC3)=C1

Molecular Processing

Molecular formula
C32H38N2O4
Molecular weight
514.67
Exact mass
514.2832
XLogP
5.83
TPSA
59.08
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
38
Rings
6
Aromatic rings
1
Saturated rings
2
Aliphatic rings
5
Stereo centers
5
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
145.78

Supplementary Information

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