SMILES:
Cc1ccc2nc(N3CCS(=O)c4ccccc4C3)nc(NCC3(NCc4ccccc4)COC3)c2c1Molecular Processing
Molecular formula
C29H31N5O2S
Molecular weight
513.67
Exact mass
513.2198
XLogP
4.04
TPSA
79.38
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
37
Rings
6
Aromatic rings
4
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.31
Molar refractivity
148.36
Supplementary Information
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