CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCC4COC(C)(C)O4)cc3n2C2CCC2)cc1
SMILES: CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCC4COC(C)(C)O4)cc3n2C2CCC2)cc1

Molecular Processing

Molecular formula
C30H35N3O5
Molecular weight
517.63
Exact mass
517.2577
XLogP
6.78
TPSA
94.74
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
38
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.467
Molar refractivity
145.23

Supplementary Information

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