Nc1ccc(CN2CCC(=CC3=C(C(=O)O)N4C(=O)C(NC(=O)CSc5ccccc5)C4SC3)C2=O)cc1
SMILES: Nc1ccc(CN2CCC(=CC3=C(C(=O)O)N4C(=O)C(NC(=O)CSc5ccccc5)C4SC3)C2=O)cc1

Molecular Processing

Molecular formula
C27H26N4O5S2
Molecular weight
550.66
Exact mass
550.1345
XLogP
2.46
TPSA
133.04
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
38
Rings
5
Aromatic rings
2
Saturated rings
2
Aliphatic rings
3
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.259
Molar refractivity
145.82

Supplementary Information

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