2,10-diphenyl-3,11-dioxa-1,9-diazatricyclo[11.3.0.05,9]hexadecane-8,16-dione

• ChemBase ID: 254185
• Molecular Formular: C24H26N2O4
• Molecular Mass: 406.47424
• Monoisotopic Mass: 406.18925732
• SMILES: N12C(OCC3N(C(OCC2CCC1=O)c1ccccc1)C(=O)CC3)c1ccccc1
• Canonical SMILES: O=C1CCC2N1C(OCC1N(C(OC2)c2ccccc2)C(=O)CC1)c1ccccc1
• InChI: InChI=1S/C24H26N2O4/c27-21-13-11-19-16-30-24(18-9-5-2-6-10-18)26-20(12-14-22(26)28)15-29-23(25(19)21)17-7-3-1-4-8-17/h1-10,19-20,23-24H,11-16H2
• InChIKey: IYOXEMKPHBGTAR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,10-diphenyl-3,11-dioxa-1,9-diazatricyclo[11.3.0.0^5,^9]hexadecane-8,16-dione
• IUPAC Traditional name: 2,10-diphenyl-3,11-dioxa-1,9-diazatricyclo[11.3.0.0^5,^9]hexadecane-8,16-dione
• Synonyms: 4,10-Diphenyl-octahydro-5,11-dioxa-3a,9a-diaza-dicyclopenta[a,f]cyclodecene-3,9-dione

Database IDs

• MDL Number: MFCD09802095
• PubChem SID: 164310095
• PubChem CID: 13573805

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.0713692
• LogD (pH = 7.4): 3.0713692
• Log P: 3.0713692
• Molar Refractivity: 110.499 cm^3
• Polarizability: 43.62761 Å^3
• Polar Surface Area: 59.08 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.43

Product Information

• Purity: 95%