7-benzyl-3-(5-chloro-2,4-dimethoxyphenyl)-6,10-dimethyl-2H,3H,4H,8H-chromeno[6,7-e][1,3]oxazin-8-one

• ChemBase ID: 206432
• Molecular Formular: C28H26ClNO5
• Molecular Mass: 491.96274
• Monoisotopic Mass: 491.14995062
• SMILES: c12c(c(c(c(=O)o1)Cc1ccccc1)C)cc1c(c2C)OCN(c2cc(c(cc2OC)OC)Cl)C1
• Canonical SMILES: COc1cc(OC)c(cc1N1COc2c(C1)cc1c(c2C)oc(=O)c(c1C)Cc1ccccc1)Cl
• InChI: InChI=1S/C28H26ClNO5/c1-16-20-11-19-14-30(23-12-22(29)24(32-3)13-25(23)33-4)15-34-26(19)17(2)27(20)35-28(31)21(16)10-18-8-6-5-7-9-18/h5-9,11-13H,10,14-15H2,1-4H3
• InChIKey: XHLQTFYIFNOZPM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-benzyl-3-(5-chloro-2,4-dimethoxyphenyl)-6,10-dimethyl-2H,3H,4H,8H-chromeno[6,7-e][1,3]oxazin-8-one
• IUPAC Traditional name: 7-benzyl-3-(5-chloro-2,4-dimethoxyphenyl)-6,10-dimethyl-2H,4H-chromeno[6,7-e][1,3]oxazin-8-one

Database IDs

• PubChem SID: 164262342
• PubChem CID: 1775532

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 6.472223
• LogD (pH = 7.4): 6.472223
• Log P: 6.472223
• Molar Refractivity: 136.001 cm^3
• Polarizability: 52.01944 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