SMILES:
Cc1cccc(NC(=O)CN2c3ccc(Cl)c(Cl)c3C3CCN(C(=O)OC(C)(C)C)CCC32)c1CMolecular Processing
Molecular formula
C27H33Cl2N3O3
Molecular weight
518.49
Exact mass
517.1899
XLogP
6.55
TPSA
61.88
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
35
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.481
Molar refractivity
141.92
Supplementary Information
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