SMILES:
COc1ccc([C@H]2NC(=O)N([C@H](C(=O)Nc3nc(C(C)=O)cs3)[C@@H](C)c3ccccc3)C2=O)cc1Molecular Processing
Molecular formula
C25H24N4O5S
Molecular weight
492.56
Exact mass
492.1467
XLogP
3.76
TPSA
117.7
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
35
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.24
Molar refractivity
130.51
Supplementary Information
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