CCOC(=O)C(C)=CC1C=CC(C#Cc2cc(OC)c3c(c2)C(C)(C)CCC3N(C)C2CC2)=CC1
SMILES: CCOC(=O)C(C)=CC1C=CC(C#Cc2cc(OC)c3c(c2)C(C)(C)CCC3N(C)C2CC2)=CC1

Molecular Processing

Molecular formula
C31H39NO3
Molecular weight
473.66
Exact mass
473.293
XLogP
6.27
TPSA
38.77
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
35
Rings
4
Aromatic rings
1
Saturated rings
1
Aliphatic rings
3
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.516
Molar refractivity
141.38

Supplementary Information

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