9-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-methoxyphenyl)-2H,8H,9H,10H-chromeno[8,7-e][1,3]oxazin-2-one

• ChemBase ID: 206643
• Molecular Formular: C26H21NO6
• Molecular Mass: 443.44804
• Monoisotopic Mass: 443.1368874
• SMILES: c12c3CN(c4cc5c(OCCO5)cc4)COc3ccc1c(cc(=O)o2)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1cc(=O)oc2c1ccc1c2CN(CO1)c1ccc2c(c1)OCCO2
• InChI: InChI=1S/C26H21NO6/c1-29-18-5-2-16(3-6-18)20-13-25(28)33-26-19(20)7-9-22-21(26)14-27(15-32-22)17-4-8-23-24(12-17)31-11-10-30-23/h2-9,12-13H,10-11,14-15H2,1H3
• InChIKey: UVGDALBZJSIMPO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-methoxyphenyl)-2H,8H,9H,10H-chromeno[8,7-e][1,3]oxazin-2-one
• IUPAC Traditional name: 9-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-methoxyphenyl)-8H,10H-chromeno[8,7-e][1,3]oxazin-2-one

Database IDs

• PubChem SID: 164262553
• PubChem CID: 1776209

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 4.185441
• LogD (pH = 7.4): 4.185441
• Log P: 4.185441
• Molar Refractivity: 130.8668 cm^3
• Polarizability: 46.47421 Å^3
• Polar Surface Area: 66.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds