SMILES:
CC(=O)NC[C@H]1CN(c2ccc(C3CCNC(=O)C3)cc2)C(=O)O1Molecular Processing
Molecular formula
C17H21N3O4
Molecular weight
331.37
Exact mass
331.1532
XLogP
1.14
TPSA
87.74
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
24
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.471
Molar refractivity
87.73
Supplementary Information
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