CC(C)(C)N(C(=O)[O-])C1CCC(CCN2C(=O)COc3ccc(C#N)cc32)CC1
SMILES: CC(C)(C)N(C(=O)[O-])C1CCC(CCN2C(=O)COc3ccc(C#N)cc32)CC1

Molecular Processing

Molecular formula
C22H28N3O4-
Molecular weight
398.48
Exact mass
398.2085
XLogP
2.68
TPSA
96.7
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
29
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
-1
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.591
Molar refractivity
106.36

Supplementary Information

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