COc1cc2nc(C3CC(N4C(=O)CC5(CCCCC5)CC4=O)CCN3)nc(N)c2cc1OC
SMILES: COc1cc2nc(C3CC(N4C(=O)CC5(CCCCC5)CC4=O)CCN3)nc(N)c2cc1OC

Molecular Processing

Molecular formula
C25H33N5O4
Molecular weight
467.57
Exact mass
467.2533
XLogP
3.12
TPSA
119.67
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
4
Heavy atoms
34
Rings
5
Aromatic rings
2
Saturated rings
3
Aliphatic rings
3
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.6
Molar refractivity
127.43

Supplementary Information

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