SMILES:
CC(c1ccc(-c2ccc(=O)[nH]c2)cc1)N1CCC(CC(C)(C)O)(c2ccccc2)OC1=OMolecular Processing
Molecular formula
C27H30N2O4
Molecular weight
446.55
Exact mass
446.2206
XLogP
5
TPSA
82.63
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
33
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
127.75
Supplementary Information
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