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

• ChemBase ID: 204911
• Molecular Formular: C26H23NO6
• Molecular Mass: 445.46392
• Monoisotopic Mass: 445.15253746
• SMILES: c12c3CN(c4cc(c(cc4)OC)OC)COc3ccc1c(cc(=O)o2)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1cc(=O)oc2c1ccc1c2CN(CO1)c1ccc(c(c1)OC)OC
• InChI: InChI=1S/C26H23NO6/c1-29-18-7-4-16(5-8-18)20-13-25(28)33-26-19(20)9-11-22-21(26)14-27(15-32-22)17-6-10-23(30-2)24(12-17)31-3/h4-13H,14-15H2,1-3H3
• InChIKey: FFGKCCUNSOQFAT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164260821
• PubChem CID: 1771327

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 4.356966
• LogD (pH = 7.4): 4.356966
• Log P: 4.356966
• Molar Refractivity: 132.8358 cm^3
• Polarizability: 47.19896 Å^3
• Polar Surface Area: 66.46 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds