9-(2H-1,3-benzodioxol-5-yl)-4-phenyl-2H,8H,9H,10H-chromeno[8,7-e][1,3]oxazin-2-one

• ChemBase ID: 204235
• Molecular Formular: C24H17NO5
• Molecular Mass: 399.39548
• Monoisotopic Mass: 399.11067265
• SMILES: c12c3CN(c4cc5c(OCO5)cc4)COc3ccc1c(cc(=O)o2)c1ccccc1
• Canonical SMILES: O=c1oc2c3CN(COc3ccc2c(c1)c1ccccc1)c1ccc2c(c1)OCO2
• InChI: InChI=1S/C24H17NO5/c26-23-11-18(15-4-2-1-3-5-15)17-7-9-20-19(24(17)30-23)12-25(13-27-20)16-6-8-21-22(10-16)29-14-28-21/h1-11H,12-14H2
• InChIKey: ZIFNPLXROABOAM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-(2H-1,3-benzodioxol-5-yl)-4-phenyl-2H,8H,9H,10H-chromeno[8,7-e][1,3]oxazin-2-one
• IUPAC Traditional name: 9-(2H-1,3-benzodioxol-5-yl)-4-phenyl-8H,10H-chromeno[8,7-e][1,3]oxazin-2-one

Database IDs

• PubChem SID: 164260145
• PubChem CID: 1768203

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 4.453213
• LogD (pH = 7.4): 4.453213
• Log P: 4.453213
• Molar Refractivity: 119.2131 cm^3
• Polarizability: 42.106236 Å^3
• Polar Surface Area: 57.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds