Nc1cc(-c2cnc(C(O)(C3CC3)C3CC3)s2)cc(N2CCOCC2)c1
Name: product
SMILES: Nc1cc(-c2cnc(C(O)(C3CC3)C3CC3)s2)cc(N2CCOCC2)c1

Molecular Processing

Molecular formula
C20H25N3O2S
Molecular weight
371.51
Exact mass
371.1667
XLogP
3.24
TPSA
71.61
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
26
Rings
5
Aromatic rings
2
Saturated rings
3
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.55
Molar refractivity
104.34

Supplementary Information

Details werden geladen…

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