SMILES:
CCc1[nH]c(C(=O)N[C@H]2CCN(c3cc(C(=O)OC)ncn3)C[C@H]2OC)nc1ClMolecular Processing
Molecular formula
C18H23ClN6O4
Molecular weight
422.87
Exact mass
422.1469
XLogP
1.23
TPSA
122.33
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
29
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
105.23
Supplementary Information
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