SMILES:
CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCC1c2ccccc2Oc2ccccc21Molecular Processing
Molecular formula
C37H39N3O4
Molecular weight
589.74
Exact mass
589.2941
XLogP
7.07
TPSA
92.45
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
44
Rings
9
Aromatic rings
4
Saturated rings
4
Aliphatic rings
5
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.405
Molar refractivity
168.67
Supplementary Information
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