SMILES:
Cc1cccc(-c2sc(C)nc2C(=O)N2CC3CC(C)CC3C2CNC(=O)c2noc3ccccc23)c1Molecular Processing
Molecular formula
C29H30N4O3S
Molecular weight
514.65
Exact mass
514.2039
XLogP
5.48
TPSA
88.33
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
37
Rings
6
Aromatic rings
4
Saturated rings
2
Aliphatic rings
2
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.379
Molar refractivity
143.57
Supplementary Information
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