CNc1cc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)cc(C(=O)OC)c1
SMILES: CNc1cc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)cc(C(=O)OC)c1

Molecular Processing

Molecular formula
C31H39N5O5
Molecular weight
561.68
Exact mass
561.2951
XLogP
5.3
TPSA
120.41
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
41
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.452
Molar refractivity
159.42

Supplementary Information

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