COc1ccc(C=C2C(=O)Nc3cc(NC(C)=O)ccc32)cc1-c1cccc(NC(C)=O)c1
SMILES: COc1ccc(C=C2C(=O)Nc3cc(NC(C)=O)ccc32)cc1-c1cccc(NC(C)=O)c1

Molecular Processing

Molecular formula
C26H23N3O4
Molecular weight
441.49
Exact mass
441.1689
XLogP
4.77
TPSA
96.53
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
33
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.115
Molar refractivity
129.98

Supplementary Information

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