SMILES:
CCCC(C(=O)OC)c1c(C)nc2cc(C(C)(C)C)nn2c1-c1cccc(O)c1Molecular Processing
Molecular formula
C23H29N3O3
Molecular weight
395.5
Exact mass
395.2209
XLogP
4.76
TPSA
76.72
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
29
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.435
Molar refractivity
113.19
Supplementary Information
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