COC(=O)c1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1
SMILES: COC(=O)c1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1

Molecular Processing

Molecular formula
C30H36N4O5
Molecular weight
532.64
Exact mass
532.2686
XLogP
5.25
TPSA
108.38
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
39
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.433
Molar refractivity
149.88

Supplementary Information

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