CN[C@@H]1CCCN(c2c(Cl)cnc3[nH]cc(NC(=O)C4CC4)c23)C1.Cl
SMILES: CN[C@@H]1CCCN(c2c(Cl)cnc3[nH]cc(NC(=O)C4CC4)c23)C1.Cl

Molecular Processing

Molecular formula
C17H23Cl2N5O
Molecular weight
384.31
Exact mass
383.128
XLogP
3.17
TPSA
73.05
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
25
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
2
Fraction Csp3
0.529
Molar refractivity
104

Supplementary Information

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