CC(CCCCC(=O)OC(C)(C)C)NC(=O)C(c1ccc(CN2N=C(c3ccccc3)OCC2=O)cc1)C1CCCC1
SMILES: CC(CCCCC(=O)OC(C)(C)C)NC(=O)C(c1ccc(CN2N=C(c3ccccc3)OCC2=O)cc1)C1CCCC1

Molecular Processing

Molecular formula
C34H45N3O5
Molecular weight
575.75
Exact mass
575.3359
XLogP
6.09
TPSA
97.3
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
12
Heavy atoms
42
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.529
Molar refractivity
162.54

Supplementary Information

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