SMILES:
COC(=O)C1(N(C(=O)Cc2ccc(Cl)cc2)c2ccccc2)CCN(C(C)C)CC1.O=C(O)C(=O)OMolecular Processing
Molecular formula
C26H31ClN2O7
Molecular weight
518.99
Exact mass
518.182
XLogP
3.49
TPSA
124.45
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
36
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
2
Fraction Csp3
0.385
Molar refractivity
135.05
Supplementary Information
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