COCCN(C/C=C/C(=O)N1CCc2c(sc3ncnc(Nc4cc(O)cc(Cl)c4)c23)C1)CCOC
SMILES: COCCN(C/C=C/C(=O)N1CCc2c(sc3ncnc(Nc4cc(O)cc(Cl)c4)c23)C1)CCOC

Molecular Processing

Molecular formula
C25H30ClN5O4S
Molecular weight
532.07
Exact mass
531.1707
XLogP
3.83
TPSA
100.05
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
11
Heavy atoms
36
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
142.27

Supplementary Information

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