COc1ncc(-c2ccnc(N3CCn4c(cc5c4CC(C)(C)C5)C3=O)c2COC(C)=O)cc1Nc1ccnc(C)n1
Name: mixture 222b
SMILES: COc1ncc(-c2ccnc(N3CCn4c(cc5c4CC(C)(C)C5)C3=O)c2COC(C)=O)cc1Nc1ccnc(C)n1

Molecular Processing

Molecular formula
C31H33N7O4
Molecular weight
567.65
Exact mass
567.2594
XLogP
4.64
TPSA
124.36
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
7
Heavy atoms
42
Rings
6
Aromatic rings
4
Saturated rings
0
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.355
Molar refractivity
156.84

Supplementary Information

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Involved in 6 reactions→

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