CCOc1cc(C(C)(C)C)ncc1C1=NC(C)(c2ccc(Cl)cc2)C(C)(c2ccc(Cl)cc2)N1C(=O)N1CCC(CC(=O)O)CC1
SMILES: CCOc1cc(C(C)(C)C)ncc1C1=NC(C)(c2ccc(Cl)cc2)C(C)(c2ccc(Cl)cc2)N1C(=O)N1CCC(CC(=O)O)CC1

Molecular Processing

Molecular formula
C36H42Cl2N4O4
Molecular weight
665.66
Exact mass
664.2583
XLogP
8.28
TPSA
95.33
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
46
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
182.04

Supplementary Information

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