SMILES:
COc1ccc2c(c1)CCC1CCNC(=O)C(CNC(C)C)=C21Molecular Processing
Molecular formula
C19H26N2O2
Molecular weight
314.43
Exact mass
314.1994
XLogP
2.53
TPSA
50.36
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
23
Rings
3
Aromatic rings
1
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.526
Molar refractivity
92.49
Supplementary Information
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