C=C(OCCCC)c1c(C)c2cnc(Nc3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cn3)nc2n(C2CCCC2)c1=O
SMILES: C=C(OCCCC)c1c(C)c2cnc(Nc3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cn3)nc2n(C2CCCC2)c1=O

Molecular Processing

Molecular formula
C33H45N7O4
Molecular weight
603.77
Exact mass
603.3533
XLogP
6.2
TPSA
114.71
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
9
Heavy atoms
44
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.545
Molar refractivity
173.47

Supplementary Information

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