SMILES:
Cc1cccc(-c2ccccc2C(=O)N2CC3CC(C)CC3C2CNC(=O)c2c(C)nc3sccn23)c1Molecular Processing
Molecular formula
C30H32N4O2S
Molecular weight
512.68
Exact mass
512.2246
XLogP
5.6
TPSA
66.71
H-bond donors
1
H-bond acceptors
4
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
7
Covalent units
1
Fraction Csp3
0.367
Molar refractivity
146.96
Supplementary Information
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