CCOc1cc(C(C)(C)C)ncc1C1=NC(C)(c2ccc(Cl)cc2)C(C)(c2ccc(Cl)cc2)N1C(=O)NC1CCN(C(=O)OC(C)(C)C)CC1
SMILES: CCOc1cc(C(C)(C)C)ncc1C1=NC(C)(c2ccc(Cl)cc2)C(C)(c2ccc(Cl)cc2)N1C(=O)NC1CCN(C(=O)OC(C)(C)C)CC1

Molecular Processing

Molecular formula
C39H49Cl2N5O4
Molecular weight
722.76
Exact mass
721.3162
XLogP
9.09
TPSA
96.36
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
50
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.487
Molar refractivity
199.45

Supplementary Information

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