SMILES:
CC(=O)Nc1cc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)ccc1N(C)CCN(C)CMolecular Processing
Molecular formula
C23H29N9O
Molecular weight
447.55
Exact mass
447.2495
XLogP
2.88
TPSA
113.62
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
9
Heavy atoms
33
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.391
Molar refractivity
130.2
Supplementary Information
Récupération des détails…
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