CCOC(=O)C(=O)Nc1ccc2c(c1)-c1c(c(C(=O)C(C#N)C(=O)Nc3ccccc3)nn1-c1ccccc1)C2
SMILES: CCOC(=O)C(=O)Nc1ccc2c(c1)-c1c(c(C(=O)C(C#N)C(=O)Nc3ccccc3)nn1-c1ccccc1)C2

Molecular Processing

Molecular formula
C30H23N5O5
Molecular weight
533.54
Exact mass
533.1699
XLogP
3.91
TPSA
143.18
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
40
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.133
Molar refractivity
145.57

Supplementary Information

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