CN1C=CCC(C(=O)NCCc2ccc(OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)c2)=C1
이름: compound 5c
SMILES: CN1C=CCC(C(=O)NCCc2ccc(OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)c2)=C1

Molecular Processing

Molecular formula
C25H34N2O5
Molecular weight
442.56
Exact mass
442.2468
XLogP
3.98
TPSA
84.94
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
32
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.48
Molar refractivity
122.94

Supplementary Information

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