SMILES:
CSCC[C@H](NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCCCC1)C(=O)OMolecular Processing
Molecular formula
C21H26N2O4S2
Molecular weight
434.58
Exact mass
434.1334
XLogP
3.66
TPSA
95.5
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
29
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
0.476
Molar refractivity
117.67
Supplementary Information
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