CC(C)(C)OC(=O)n1ncc2cc(Nc3nc(-c4cccc(NC(=O)CN5CCOCC5)c4)nc4ccccc34)ccc21
SMILES: CC(C)(C)OC(=O)n1ncc2cc(Nc3nc(-c4cccc(NC(=O)CN5CCOCC5)c4)nc4ccccc34)ccc21

Molecular Processing

Molecular formula
C32H33N7O4
Molecular weight
579.66
Exact mass
579.2594
XLogP
5.44
TPSA
123.5
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
6
Heavy atoms
43
Rings
6
Aromatic rings
5
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.281
Molar refractivity
165.51

Supplementary Information

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