SMILES:
Cc1nc(NC(=O)Cc2cccc3[nH]ncc23)sc1C(=O)NC(CNC(=O)c1cccs1)C(=O)OMolecular Processing
Molecular formula
C22H20N6O5S2
Molecular weight
512.57
Exact mass
512.0937
XLogP
2.18
TPSA
166.17
H-bond donors
5
H-bond acceptors
8
Rotatable bonds
9
Heavy atoms
35
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.182
Molar refractivity
130.82
Supplementary Information
Obteniendo detalles…
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