SMILES:
C=C(C)[C@@H]1CC[C@]2(NCCN3CCCC3=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(c6ccc(C(=O)O)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12Molecular Processing
Molecular formula
C42H60N2O3
Molecular weight
640.95
Exact mass
640.4604
XLogP
9
TPSA
69.64
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
47
Rings
7
Aromatic rings
1
Saturated rings
5
Aliphatic rings
6
Stereo centers
9
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.714
Molar refractivity
189.84
Supplementary Information
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