SMILES:
CCc1[nH]c(C(=O)N[C@H]2CCN(c3cc(OC)cc(C(=O)OC)c3)C[C@H]2OC)nc1ClMolecular Processing
Molecular formula
C21H27ClN4O5
Molecular weight
450.92
Exact mass
450.167
XLogP
2.44
TPSA
105.78
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
31
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
0.476
Molar refractivity
116.19
Supplementary Information
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