CNC(=O)c1ccccc1Nc1nc(Nc2ccc3c(c2)N(C)CCN(CCO)C3)ncc1Cl
SMILES: CNC(=O)c1ccccc1Nc1nc(Nc2ccc3c(c2)N(C)CCN(CCO)C3)ncc1Cl

Molecular Processing

Molecular formula
C24H28ClN7O2
Molecular weight
481.99
Exact mass
481.1993
XLogP
3.22
TPSA
105.65
H-bond donors
4
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
34
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.292
Molar refractivity
135.51

Supplementary Information

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