SMILES:
CCc1[nH]c(C(=O)N[C@H]2CCN(c3cnc(C)c(C(=O)OC)c3)C[C@H]2OC)nc1ClMolecular Processing
Molecular formula
C20H26ClN5O4
Molecular weight
435.91
Exact mass
435.1673
XLogP
2.14
TPSA
109.44
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
30
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
112.17
Supplementary Information
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