SMILES:
Cc1cc(Nc2cc(N[C@H](CC3CCCCC3)C(N)=O)ccc2C(N)=O)sn1Molecular Processing
Molecular formula
C20H27N5O2S
Molecular weight
401.54
Exact mass
401.1885
XLogP
3.53
TPSA
123.13
H-bond donors
4
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
28
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.45
Molar refractivity
112.89
Supplementary Information
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