SMILES:
COC(=O)c1sc(-c2ccccc2)cc1N(C(=O)C1CCC(C)CC1)C1CCC(=NO)CC1Molecular Processing
Molecular formula
C26H32N2O4S
Molecular weight
468.62
Exact mass
468.2083
XLogP
6.13
TPSA
79.2
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
33
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
131.18
Supplementary Information
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