SMILES:
CCn1nc(C)cc1Nc1cc(Nc2ccccc2C(=O)N(C)O)c(Cl)cn1Molecular Processing
Molecular formula
C19H21ClN6O2
Molecular weight
400.87
Exact mass
400.1415
XLogP
4.21
TPSA
95.31
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
28
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.211
Molar refractivity
108.77
Supplementary Information
Obteniendo detalles…
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