CCCC1CCN(C(=O)[C@H](CCCc2ccc(OC)cc2)[C@H](O)C(=O)NO)CC1
Name: title product
SMILES: CCCC1CCN(C(=O)[C@H](CCCc2ccc(OC)cc2)[C@H](O)C(=O)NO)CC1

Molecular Processing

Molecular formula
C22H34N2O5
Molecular weight
406.52
Exact mass
406.2468
XLogP
2.54
TPSA
99.1
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
10
Heavy atoms
29
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.636
Molar refractivity
109.57

Supplementary Information

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