COc1ccc(-c2nnc(C(=O)N3CC(Oc4ccc(CN5CCCC(C)(O)CC5)cc4)C3)o2)cc1
SMILES: COc1ccc(-c2nnc(C(=O)N3CC(Oc4ccc(CN5CCCC(C)(O)CC5)cc4)C3)o2)cc1

Molecular Processing

Molecular formula
C27H32N4O5
Molecular weight
492.58
Exact mass
492.2373
XLogP
3.39
TPSA
101.16
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
36
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
132.8

Supplementary Information

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