COc1ccc2c3cnc(Nc4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)cn4)nc3n(C3CCCC3)c2n1
Name: Compound 269
SMILES: COc1ccc2c3cnc(Nc4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)cn4)nc3n(C3CCCC3)c2n1

Molecular Processing

Molecular formula
C29H36N8O3
Molecular weight
544.66
Exact mass
544.291
XLogP
5.3
TPSA
110.53
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
5
Heavy atoms
40
Rings
6
Aromatic rings
4
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.483
Molar refractivity
154.43

Supplementary Information

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Involved in 3 reactions→

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