SMILES:
CC(=O)OC(COc1cccc2c1CCC(=O)N2)CN1CCN(c2ccccc2)CC1Molecular Processing
Molecular formula
C24H29N3O4
Molecular weight
423.51
Exact mass
423.2158
XLogP
2.7
TPSA
71.11
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
31
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
119.54
Supplementary Information
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