COC(=O)c1ccc(Cc2c(C)nc(N)nc2Cl)c(OCc2ccccc2)c1
SMILES: COC(=O)c1ccc(Cc2c(C)nc(N)nc2Cl)c(OCc2ccccc2)c1

Molecular Processing

Molecular formula
C21H20ClN3O3
Molecular weight
397.86
Exact mass
397.1193
XLogP
3.98
TPSA
87.33
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
28
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.19
Molar refractivity
107.55

Supplementary Information

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