SMILES:
COc1cccc2c1C(Nc1ccc3cc(NC(=O)NC4CCN(C(C)C)CC4)ccc3n1)CO2Molecular Processing
Molecular formula
C27H33N5O3
Molecular weight
475.59
Exact mass
475.2583
XLogP
4.78
TPSA
87.75
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
35
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.407
Molar refractivity
138.48
Supplementary Information
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