SMILES:
CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCCc1cnccn1Molecular Processing
Molecular formula
C29H35N5O3
Molecular weight
501.63
Exact mass
501.274
XLogP
4.17
TPSA
109
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
37
Rings
7
Aromatic rings
3
Saturated rings
4
Aliphatic rings
4
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.517
Molar refractivity
139.6
Supplementary Information
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