C=CCCCCN(C)C(=O)[C@@H]1C[C@@H](O)CN1C(=O)N[C@]1(C(=O)OCC)C[C@@H]1C=C
Name: compound 50
SMILES: C=CCCCCN(C)C(=O)[C@@H]1C[C@@H](O)CN1C(=O)N[C@]1(C(=O)OCC)C[C@@H]1C=C

Molecular Processing

Molecular formula
C21H33N3O5
Molecular weight
407.51
Exact mass
407.242
XLogP
1.45
TPSA
99.18
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
10
Heavy atoms
29
Rings
2
Aromatic rings
0
Saturated rings
2
Aliphatic rings
2
Stereo centers
4
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
109

Supplementary Information

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