C1=CC2=C(C=CC3=C2C(=C1)C(=O)N(C3=O)CCSSCCN4C(=O)C5=C6C(=C(C=C5)Cl)C=CC=C6C4=O)Cl
Nombre: 6-chloro-2-[2-[2-(6-chloro-1,3-dioxobenzo[de]isoquinolin-2-yl)ethyldisulfanyl]ethyl]benzo[de]isoquinoline-1,3-dione
SMILES: C1=CC2=C(C=CC3=C2C(=C1)C(=O)N(C3=O)CCSSCCN4C(=O)C5=C6C(=C(C=C5)Cl)C=CC=C6C4=O)Cl

Molecular Processing

Molecular formula
C28H18Cl2N2O4S2
Molecular weight
581.5
Exact mass
580.0085
XLogP
6.57
TPSA
74.76
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
38
Rings
6
Aromatic rings
4
Saturated rings
0
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
153.57

Supplementary Information

InChIKey: MFEKJUIPLACLHJ-UHFFFAOYSA-N
Sinónimos
SCHEMBL338647MFEKJUIPLACLHJ-UHFFFAOYSA-N2,2'-(disulfanediyldiethane-2,1-diyl)bis(6-chloro-1H-benzo[de]-isoquinoline-1,3(2H)-dione)2,2'-(Disulphanediyldiethane-2,1-diyl)bis(6-chloro-1H-benzo[de]-isoquinoline-1,3(2H)-dione)6-chloro-2-(2-{[2-(6-chloro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl]-disulphanyl}ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
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