SMILES:
COC1(c2cnc(Sc3ccc4c(c3)CCC(=O)N4C)s2)CCOC(C)(C)C1Molecular Processing
Molecular formula
C21H26N2O3S2
Molecular weight
418.58
Exact mass
418.1385
XLogP
4.63
TPSA
51.66
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
28
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.524
Molar refractivity
112.36
Supplementary Information
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