3-benzyl-9-(5-chloro-2,4-dimethoxyphenyl)-4-methyl-2H,8H,9H,10H-chromeno[8,7-e][1,3]oxazin-2-one

• ChemBase ID: 205643
• Molecular Formular: C27H24ClNO5
• Molecular Mass: 477.93616
• Monoisotopic Mass: 477.13430055
• SMILES: c12c3CN(c4cc(c(cc4OC)OC)Cl)COc3ccc2c(c(c(=O)o1)Cc1ccccc1)C
• Canonical SMILES: COc1cc(OC)c(cc1N1COc2c(C1)c1oc(=O)c(c(c1cc2)C)Cc1ccccc1)Cl
• InChI: InChI=1S/C27H24ClNO5/c1-16-18-9-10-23-20(26(18)34-27(30)19(16)11-17-7-5-4-6-8-17)14-29(15-33-23)22-12-21(28)24(31-2)13-25(22)32-3/h4-10,12-13H,11,14-15H2,1-3H3
• InChIKey: WTGXEHVYAHKBGN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-benzyl-9-(5-chloro-2,4-dimethoxyphenyl)-4-methyl-2H,8H,9H,10H-chromeno[8,7-e][1,3]oxazin-2-one
• IUPAC Traditional name: 3-benzyl-9-(5-chloro-2,4-dimethoxyphenyl)-4-methyl-8H,10H-chromeno[8,7-e][1,3]oxazin-2-one

Database IDs

• PubChem SID: 164261553
• PubChem CID: 1774428

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 5.9588013
• LogD (pH = 7.4): 5.9588013
• Log P: 5.9588013
• Molar Refractivity: 130.9598 cm^3
• Polarizability: 50.25477 Å^3
• Polar Surface Area: 57.23 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds