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

• ChemBase ID: 206042
• Molecular Formular: C28H27NO4
• Molecular Mass: 441.51828
• Monoisotopic Mass: 441.19400835
• SMILES: N1(Cc2c3c(c(cc(=O)o3)c3ccc(cc3)OC)ccc2OC1)c1c(C(C)C)cccc1C
• Canonical SMILES: COc1ccc(cc1)c1cc(=O)oc2c1ccc1c2CN(CO1)c1c(C)cccc1C(C)C
• InChI: InChI=1S/C28H27NO4/c1-17(2)21-7-5-6-18(3)27(21)29-15-24-25(32-16-29)13-12-22-23(14-26(30)33-28(22)24)19-8-10-20(31-4)11-9-19/h5-14,17H,15-16H2,1-4H3
• InChIKey: UTVOHMGHDCPCDM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-methoxyphenyl)-9-[2-methyl-6-(propan-2-yl)phenyl]-2H,8H,9H,10H-chromeno[8,7-e][1,3]oxazin-2-one
• IUPAC Traditional name: 9-(2-isopropyl-6-methylphenyl)-4-(4-methoxyphenyl)-8H,10H-chromeno[8,7-e][1,3]oxazin-2-one

Database IDs

• PubChem SID: 164261952
• PubChem CID: 1806554

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 6.4307394
• LogD (pH = 7.4): 6.4307394
• Log P: 6.4307394
• Molar Refractivity: 139.1414 cm^3
• Polarizability: 49.372215 Å^3
• Polar Surface Area: 48.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds