COCc1c(C(=O)Nc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)oc2ccccc12
SMILES: COCc1c(C(=O)Nc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)oc2ccccc12

Molecular Processing

Molecular formula
C26H31N3O5
Molecular weight
465.55
Exact mass
465.2264
XLogP
4.89
TPSA
84.25
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
34
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
131.34

Supplementary Information

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