Secondary metabolite: Dictyoquinazol C Summary Molecular formula: C18H18N2O5
SMILES: COc1ccc(c(c1)CO)N1CN(C=O)c2c(C1=O)cc(cc2)OC InChI: InChI=1S/C18H18N2O5/c1-24-13-3-5-16(12(7-13)9-21)20-10-19(11-22)17-6-4-14(25-2)8-15(17)18(20)23/h3-8,11,21H,9-10H2,1-2H3 InChIKey: RFAIUXGESYTSKG-UHFFFAOYSA-N
Chemical classification Kingdom: Organic compounds
Super class: Organoheterocyclic compounds Class: Diazanaphthalenes
Sub class: Benzodiazines
Synonymous chemical names: dictyoquinazol c
Chemical structure download Physicochemical properties Property name Tool Property value Molecular weight (g/mol) RDKit 342.35 Log P RDKit 1.78 Topological polar surface area (Å2 ) RDKit 79.31 Number of hydrogen bond acceptors RDKit 5 Number of hydrogen bond donors RDKit 1 Number of carbon atoms RDKit 18 Number of heavy atoms RDKit 25 Number of heteroatoms RDKit 7 Number of nitrogen atoms RDKit 2 Number of sulfur atoms RDKit 0 Number of chiral carbon atoms RDKit 0 Stereochemical complexity RDKit 0 Number of sp hybridized carbon atoms RDKit 0 Number of sp2 hybridized carbon atoms RDKit 14 Number of sp3 hybridized carbon atoms RDKit 4 Fraction of sp3 hybridized carbon atoms (Fsp3 ) RDKit 0.22 Shape complexity RDKit 0.22 Number of rotatable bonds SwissADME 5 Number of aliphatic carbocycles RDKit 0 Number of aliphatic heterocycles RDKit 1 Number of aliphatic rings RDKit 1 Number of aromatic carbocycles RDKit 2 Number of aromatic heterocycles RDKit 0 Number of aromatic rings RDKit 2 Total number of rings RDKit 3 Number of saturated carbocycles RDKit 0 Number of saturated heterocycles RDKit 0 Number of saturated rings RDKit 0 Number of Smallest Set of Smallest Rings (SSSR) RDKit 3
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