SMILES:
CC(c1ccncc1)N1CCC(CNc2ccccc2C(=O)Nc2ccc(Cl)cn2)CC1Molecular Processing
Molecular formula
C25H28ClN5O
Molecular weight
449.99
Exact mass
449.1982
XLogP
5.27
TPSA
70.15
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
32
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.32
Molar refractivity
129.08
Supplementary Information
Récupération des détails…
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