O=C(COc1cccc(-c2nc(Nc3ccc4[nH]ncc4c3)c3ccccc3n2)c1)NC1CCOCC1
SMILES: O=C(COc1cccc(-c2nc(Nc3ccc4[nH]ncc4c3)c3ccccc3n2)c1)NC1CCOCC1

Molecular Processing

Molecular formula
C28H26N6O3
Molecular weight
494.56
Exact mass
494.2066
XLogP
4.59
TPSA
114.05
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
37
Rings
6
Aromatic rings
5
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.214
Molar refractivity
141.83

Supplementary Information

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