SMILES:
Cc1ccc(-c2c(CN)c(CC(C)C)nc3ccc(OCCOCC(=O)O)cc23)cc1Molecular Processing
Molecular formula
C25H30N2O4
Molecular weight
422.53
Exact mass
422.2206
XLogP
4.35
TPSA
94.67
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
10
Heavy atoms
31
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.36
Molar refractivity
122.3
Supplementary Information
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