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

• ChemBase ID: 205035
• Molecular Formular: C26H22FNO4
• Molecular Mass: 431.4555832
• Monoisotopic Mass: 431.15328641
• SMILES: c12c3c(OCN(C3)CCc3cc(F)ccc3)ccc1c(cc(=O)o2)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1cc(=O)oc2c1ccc1c2CN(CO1)CCc1cccc(c1)F
• InChI: InChI=1S/C26H22FNO4/c1-30-20-7-5-18(6-8-20)22-14-25(29)32-26-21(22)9-10-24-23(26)15-28(16-31-24)12-11-17-3-2-4-19(27)13-17/h2-10,13-14H,11-12,15-16H2,1H3
• InChIKey: MGWWDOAOZFURCF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164260945
• PubChem CID: 1771705

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.813434
• LogD (pH = 7.4): 4.9352283
• Log P: 4.9370246
• Molar Refractivity: 128.9949 cm^3
• Polarizability: 45.803978 Å^3
• Polar Surface Area: 48.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds