SMILES:
COC(=O)C1=C(C)NC(C)=C(C(=O)CC2CCC2)C1c1cccc2c(=O)cc(C)oc12Molecular Processing
Molecular formula
C25H27NO5
Molecular weight
421.49
Exact mass
421.1889
XLogP
4.27
TPSA
85.61
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
31
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
117.48
Supplementary Information
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