SMILES:
CC1CCN(Cc2ccc3c(c2)cc(-c2ccc(Cl)c4c2C(=O)NC4)n3C(=O)OC(C)(C)C)CC1Molecular Processing
Molecular formula
C28H32ClN3O3
Molecular weight
494.04
Exact mass
493.2132
XLogP
6.22
TPSA
63.57
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
35
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
138.86
Supplementary Information
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