Nombre: (S)-2-(3,5-dichloro-phenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione
SMILES:
O=C1[C@@H]2Cc3ccccc3CN2C(=O)N1c1cc(Cl)cc(Cl)c1Molecular Processing
Molecular formula
C17H12Cl2N2O2
Molecular weight
347.2
Exact mass
346.0276
XLogP
3.89
TPSA
40.62
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
23
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.176
Molar refractivity
88.82
Supplementary Information
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