3-hydroxy-3-[3-(3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl)-2-oxopropyl]-2,3-dihydro-1H-indol-2-one

• ChemBase ID: 186676
• Molecular Formular: C19H16N2O5
• Molecular Mass: 352.34074
• Monoisotopic Mass: 352.10592162
• SMILES: C1(C(=O)Nc2c1cccc2)(CC(=O)CC1(C(=O)Nc2c1cccc2)O)O
• Canonical SMILES: O=C(CC1(O)C(=O)Nc2c1cccc2)CC1(O)C(=O)Nc2c1cccc2
• InChI: InChI=1S/C19H16N2O5/c22-11(9-18(25)12-5-1-3-7-14(12)20-16(18)23)10-19(26)13-6-2-4-8-15(13)21-17(19)24/h1-8,25-26H,9-10H2,(H,20,23)(H,21,24)
• InChIKey: ROCVBZTWTGXHKR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-hydroxy-3-[3-(3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl)-2-oxopropyl]-2,3-dihydro-1H-indol-2-one
• IUPAC Traditional name: 3-hydroxy-3-[3-(3-hydroxy-2-oxo-1H-indol-3-yl)-2-oxopropyl]-1H-indol-2-one

Database IDs

• PubChem SID: 164242586
• PubChem CID: 299561

CALCULATED PROPERTIES

• Acid pKa: 11.237833
• H Acceptors: 5
• H Donor: 4
• LogD (pH = 5.5): 0.84866184
• LogD (pH = 7.4): 0.84860057
• Log P: 0.8486626
• Molar Refractivity: 94.251 cm^3
• Polarizability: 35.10198 Å^3
• Polar Surface Area: 115.73 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds