C1=CC=C2C(=C1)C=CC(=N2)COC3=CC=C(C=C3)OCC4=C5C(=CC=C4)C(=O)C=C(O5)C#N
Nom: 4-oxo-8-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]chromene-2-carbonitrile
SMILES: C1=CC=C2C(=C1)C=CC(=N2)COC3=CC=C(C=C3)OCC4=C5C(=CC=C4)C(=O)C=C(O5)C#N

Molecular Processing

Molecular formula
C27H18N2O4
Molecular weight
434.45
Exact mass
434.1267
XLogP
5.37
TPSA
85.35
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
33
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.074
Molar refractivity
124.05

Supplementary Information

InChIKey: PBHMIBHVQALPNF-UHFFFAOYSA-N
Synonymes
SCHEMBL9635568PBHMIBHVQALPNF-UHFFFAOYSA-N2-cyano-8-(4-(quinolin-2-ylmethoxy)phenoxymethyl)-4-oxo-4H-1-benzopyran
Voir la source →
Impliqué dans 4 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→