SMILES:
CCCCc1nc(N2CC(NC(=O)OC(C)(C)C)C2)sc1C(=O)OCCMolecular Processing
Molecular formula
C18H29N3O4S
Molecular weight
383.51
Exact mass
383.1879
XLogP
3.38
TPSA
80.76
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
26
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.722
Molar refractivity
102.05
Supplementary Information
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