SMILES:
CCOC(=O)Cn1ccnc(NC2CN(C(=O)OC(C)(C)C)CC2c2ccccn2)c1=OMolecular Processing
Molecular formula
C22H29N5O5
Molecular weight
443.5
Exact mass
443.2169
XLogP
2.02
TPSA
115.65
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
32
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
117.33
Supplementary Information
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