SMILES:
COc1cc(-c2csc3c(CCCN4CCC(O)CC4)cnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1CMolecular Processing
Molecular formula
C32H35N5O3S
Molecular weight
569.73
Exact mass
569.2461
XLogP
5.69
TPSA
105.64
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
41
Rings
6
Aromatic rings
5
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.312
Molar refractivity
166.89
Supplementary Information
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