SMILES:
COc1cc(C=CC(=O)NC2CCC(C)CC2)ccc1OCCNCCSMolecular Processing
Molecular formula
C21H32N2O3S
Molecular weight
392.57
Exact mass
392.2134
XLogP
3.3
TPSA
59.59
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
10
Heavy atoms
27
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
113.81
Supplementary Information
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