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

• ChemBase ID: 207372
• Molecular Formular: C27H25NO5
• Molecular Mass: 443.4911
• Monoisotopic Mass: 443.17327291
• SMILES: c12c3c(OCN(C3)CCc3ccc(cc3)OC)ccc1c(cc(=O)o2)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)CCN1COc2c(C1)c1oc(=O)cc(c1cc2)c1ccc(cc1)OC
• InChI: InChI=1S/C27H25NO5/c1-30-20-7-3-18(4-8-20)13-14-28-16-24-25(32-17-28)12-11-22-23(15-26(29)33-27(22)24)19-5-9-21(31-2)10-6-19/h3-12,15H,13-14,16-17H2,1-2H3
• InChIKey: GACRCSGUUIDDDM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164263282
• PubChem CID: 1779535

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 4.384699
• LogD (pH = 7.4): 4.6323724
• Log P: 4.6366515
• Molar Refractivity: 135.2417 cm^3
• Polarizability: 48.667427 Å^3
• Polar Surface Area: 57.23 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds