CC(C)(C)OC(=O)Nc1cc(OCC2COC(=O)O2)c(C#Cc2ccccc2)cc1NC(=O)CC(=O)c1cccc(C#N)c1
SMILES: CC(C)(C)OC(=O)Nc1cc(OCC2COC(=O)O2)c(C#Cc2ccccc2)cc1NC(=O)CC(=O)c1cccc(C#N)c1

Molecular Processing

Molecular formula
C33H29N3O8
Molecular weight
595.61
Exact mass
595.1955
XLogP
5.43
TPSA
153.05
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
8
Heavy atoms
44
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.242
Molar refractivity
159.17

Supplementary Information

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