4-(4-phenoxyphenyl)-6,17-dioxa-4-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1,7,9,11(15)-tetraen-16-one

• ChemBase ID: 204768
• Molecular Formular: C26H21NO4
• Molecular Mass: 411.44924
• Monoisotopic Mass: 411.14705816
• SMILES: c12c3CN(COc3ccc2c2c(c(=O)o1)CCC2)c1ccc(Oc2ccccc2)cc1
• Canonical SMILES: O=c1oc2c3CN(COc3ccc2c2c1CCC2)c1ccc(cc1)Oc1ccccc1
• InChI: InChI=1S/C26H21NO4/c28-26-22-8-4-7-20(22)21-13-14-24-23(25(21)31-26)15-27(16-29-24)17-9-11-19(12-10-17)30-18-5-2-1-3-6-18/h1-3,5-6,9-14H,4,7-8,15-16H2
• InChIKey: YSSATQPSUYWKHQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-phenoxyphenyl)-6,17-dioxa-4-azatetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadeca-1,7,9,11(15)-tetraen-16-one
• IUPAC Traditional name: 4-(4-phenoxyphenyl)-6,17-dioxa-4-azatetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadeca-1,7,9,11(15)-tetraen-16-one

Database IDs

• PubChem SID: 164260678
• PubChem CID: 1770305

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.5728564
• LogD (pH = 7.4): 5.5728564
• Log P: 5.5728564
• Molar Refractivity: 117.5722 cm^3
• Polarizability: 45.177498 Å^3
• Polar Surface Area: 48.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds