CC(C)(C)OC(=O)n1c(-c2ccc(Cl)c3c2C(=O)NC3)cc2cc(CN3CCOCC3)ccc21
SMILES: CC(C)(C)OC(=O)n1c(-c2ccc(Cl)c3c2C(=O)NC3)cc2cc(CN3CCOCC3)ccc21

Molecular Processing

Molecular formula
C26H28ClN3O4
Molecular weight
481.98
Exact mass
481.1768
XLogP
4.82
TPSA
72.8
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
34
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
131.28

Supplementary Information

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