CC(C)(C)OC(=O)CC(=O)c1cccc(-n2nncc2COC2CCCCO2)c1
SMILES: CC(C)(C)OC(=O)CC(=O)c1cccc(-n2nncc2COC2CCCCO2)c1

Molecular Processing

Molecular formula
C21H27N3O5
Molecular weight
401.46
Exact mass
401.1951
XLogP
3.23
TPSA
92.54
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
29
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.524
Molar refractivity
104.53

Supplementary Information

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