CCOc1cc(C(C)(C)C)ncc1C1=NC(C)(c2ccc(Cl)cc2)C(C)(c2ccc(Cl)cc2)N1C(=O)N1CCC(CC(=O)NCCc2cccc(C)c2)CC1
SMILES: CCOc1cc(C(C)(C)C)ncc1C1=NC(C)(c2ccc(Cl)cc2)C(C)(c2ccc(Cl)cc2)N1C(=O)N1CCC(CC(=O)NCCc2cccc(C)c2)CC1

Molecular Processing

Molecular formula
C45H53Cl2N5O3
Molecular weight
782.86
Exact mass
781.3525
XLogP
9.87
TPSA
87.13
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
10
Heavy atoms
55
Rings
6
Aromatic rings
4
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.422
Molar refractivity
222.29

Supplementary Information

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