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

• ChemBase ID: 205485
• Molecular Formular: C28H25NO4
• Molecular Mass: 439.5024
• Monoisotopic Mass: 439.17835829
• SMILES: c12c3CN(C4c5c(CCC4)cccc5)COc3ccc1c(cc(=O)o2)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1cc(=O)oc2c1ccc1c2CN(CO1)C1CCCc2c1cccc2
• InChI: InChI=1S/C28H25NO4/c1-31-20-11-9-19(10-12-20)23-15-27(30)33-28-22(23)13-14-26-24(28)16-29(17-32-26)25-8-4-6-18-5-2-3-7-21(18)25/h2-3,5,7,9-15,25H,4,6,8,16-17H2,1H3
• InChIKey: TWDFNNAPLBAZMC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164261395
• PubChem CID: 3653092

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 5.263063
• LogD (pH = 7.4): 5.490623
• Log P: 5.4944544
• Molar Refractivity: 136.2053 cm^3
• Polarizability: 49.107616 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