CC(C)(C)OC(=O)N1C[C@H](Oc2nc3ccccc3nc2-c2nc3ccccc3s2)C[C@H]1C(=O)O
SMILES: CC(C)(C)OC(=O)N1C[C@H](Oc2nc3ccccc3nc2-c2nc3ccccc3s2)C[C@H]1C(=O)O

Molecular Processing

Molecular formula
C25H24N4O5S
Molecular weight
492.56
Exact mass
492.1467
XLogP
4.75
TPSA
114.74
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
4
Heavy atoms
35
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.32
Molar refractivity
131.55

Supplementary Information

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