CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)NCCN(C)C)CC[C@]4(C)[C@H]3CC[C@]12C
Name: Compound XIV
SMILES: CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)NCCN(C)C)CC[C@]4(C)[C@H]3CC[C@]12C

Molecular Processing

Molecular formula
C32H56N2O2
Molecular weight
500.81
Exact mass
500.4342
XLogP
7.68
TPSA
41.57
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
9
Heavy atoms
36
Rings
4
Aromatic rings
0
Saturated rings
3
Aliphatic rings
4
Stereo centers
8
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.906
Molar refractivity
149.87

Supplementary Information

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