SMILES:
O=C(NC1(C(=O)OCc2ccccc2)CCCCC1)N1CCN(C(=O)c2ccccc2)CC1Molecular Processing
Molecular formula
C26H31N3O4
Molecular weight
449.55
Exact mass
449.2315
XLogP
3.6
TPSA
78.95
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
33
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.423
Molar refractivity
124.5
Supplementary Information
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