CC(C)(C)OC(=O)N1CCC[C@@H](N(C(=O)c2ccc(-n3nnc4cccnc43)cn2)c2ncccc2Cl)C1
SMILES: CC(C)(C)OC(=O)N1CCC[C@@H](N(C(=O)c2ccc(-n3nnc4cccnc43)cn2)c2ncccc2Cl)C1

Molecular Processing

Molecular formula
C26H27ClN8O3
Molecular weight
535.01
Exact mass
534.1895
XLogP
4.31
TPSA
119.23
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
4
Heavy atoms
38
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.346
Molar refractivity
141.34

Supplementary Information

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