Name: (4-(imidazol-1-yl)-phenyl]-3-benzyloxy-6-[(1-iminoethyl)amino]-4H-1-benzopyran-4-one
SMILES:
CC(=N)Nc1ccc2oc(-c3ccc(-n4ccnc4)cc3)c(OCc3ccccc3)c(=O)c2c1Molecular Processing
Molecular formula
C27H22N4O3
Molecular weight
450.5
Exact mass
450.1692
XLogP
5.63
TPSA
93.14
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
34
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.074
Molar refractivity
132.84
Supplementary Information
Details werden geladen…
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