SMILES:
O=C(/C=C/CN1CC2CCC(C2)C1)N1CCc2c(sc3ncnc(Nc4cc(O)cc(Cl)c4)c23)C1Molecular Processing
Molecular formula
C26H28ClN5O2S
Molecular weight
510.06
Exact mass
509.1652
XLogP
4.97
TPSA
81.59
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
35
Rings
6
Aromatic rings
3
Saturated rings
2
Aliphatic rings
3
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.423
Molar refractivity
139.35
Supplementary Information
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