SMILES:
COc1ccc2sc3c(C)cc4c(c3c2c1)C(=O)N(CCN(C)C)C4=OMolecular Processing
Molecular formula
C20H20N2O3S
Molecular weight
368.46
Exact mass
368.1195
XLogP
3.53
TPSA
49.85
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
26
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
104.54
Supplementary Information
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