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

• ChemBase ID: 205672
• Molecular Formular: C27H25NO4
• Molecular Mass: 427.4917
• Monoisotopic Mass: 427.17835829
• SMILES: N1(Cc2c3c(c(cc(=O)o3)c3ccc(cc3)OC)ccc2OC1)c1c(cc(cc1C)C)C
• Canonical SMILES: COc1ccc(cc1)c1cc(=O)oc2c1ccc1c2CN(CO1)c1c(C)cc(cc1C)C
• InChI: InChI=1S/C27H25NO4/c1-16-11-17(2)26(18(3)12-16)28-14-23-24(31-15-28)10-9-21-22(13-25(29)32-27(21)23)19-5-7-20(30-4)8-6-19/h5-13H,14-15H2,1-4H3
• InChIKey: BSWGCTPNPYSONY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164261582
• PubChem CID: 1774512

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 6.2125726
• LogD (pH = 7.4): 6.2125726
• Log P: 6.2125726
• Molar Refractivity: 135.033 cm^3
• Polarizability: 47.451687 Å^3
• Polar Surface Area: 48.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds