COc1cc(-c2coc3c(/C=C/C=O)cnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C
SMILES: COc1cc(-c2coc3c(/C=C/C=O)cnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C

Molecular Processing

Molecular formula
C27H22N4O4
Molecular weight
466.5
Exact mass
466.1641
XLogP
5.04
TPSA
112.38
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
35
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.074
Molar refractivity
136.38

Supplementary Information

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