(2R)-5-ethoxy-1'-methyl-1',2'-dihydrospiro[1,3-benzodiazole-2,3'-indole]-2'-one

• ChemBase ID: 180685
• Molecular Formular: C17H15N3O2
• Molecular Mass: 293.3199
• Monoisotopic Mass: 293.11642674
• SMILES: [C@]12(N=c3c(=N1)ccc(c3)OCC)C(=O)N(c1c2cccc1)C
• Canonical SMILES: CCOc1ccc2=N[C@@]3(N=c2c1)c1ccccc1N(C3=O)C
• InChI: InChI=1S/C17H15N3O2/c1-3-22-11-8-9-13-14(10-11)19-17(18-13)12-6-4-5-7-15(12)20(2)16(17)21/h4-10H,3H2,1-2H3/t17-/m1/s1
• InChIKey: QHGVHWRAQKSXHI-QGZVFWFLSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-5-ethoxy-1'-methyl-1',2'-dihydrospiro[1,3-benzodiazole-2,3'-indole]-2'-one
• IUPAC Traditional name: (2R)-5-ethoxy-1'-methylspiro[1,3-benzodiazole-2,3'-indole]-2'-one

Database IDs

• PubChem SID: 164236595
• PubChem CID: 6545850

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.8205729
• LogD (pH = 7.4): 2.8205729
• Log P: 2.8205729
• Molar Refractivity: 85.5375 cm^3
• Polarizability: 31.249249 Å^3
• Polar Surface Area: 54.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds