CC(=O)N[C@@]1(C(=O)NC(C)(C)C)C[C@@H](N)C[C@@H]1CCCB1OC(C)(C)C(C)(C)O1
SMILES: CC(=O)N[C@@]1(C(=O)NC(C)(C)C)C[C@@H](N)C[C@@H]1CCCB1OC(C)(C)C(C)(C)O1

Molecular Processing

Molecular formula
C21H40BN3O4
Molecular weight
409.38
Exact mass
409.3112
XLogP
2.39
TPSA
102.68
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
29
Rings
2
Aromatic rings
0
Saturated rings
2
Aliphatic rings
2
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.905
Molar refractivity
115.27

Supplementary Information

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