COc1c(OC(C)=O)cc2c(c1Sc1ccccc1)CCN(C)CC2
SMILES: COc1c(OC(C)=O)cc2c(c1Sc1ccccc1)CCN(C)CC2

Molecular Processing

Molecular formula
C20H23NO3S
Molecular weight
357.48
Exact mass
357.1399
XLogP
3.8
TPSA
38.77
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
25
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.35
Molar refractivity
99.77

Supplementary Information

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