O=S1CCN(c2nc(Cl)nc3c(SCc4ccccc4)ncnc23)CC1
SMILES: O=S1CCN(c2nc(Cl)nc3c(SCc4ccccc4)ncnc23)CC1

Molecular Processing

Molecular formula
C17H16ClN5OS2
Molecular weight
405.94
Exact mass
405.0485
XLogP
2.93
TPSA
71.87
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
26
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.294
Molar refractivity
106.23

Supplementary Information

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