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

• ChemBase ID: 206579
• Molecular Formular: C20H18ClNO5
• Molecular Mass: 387.81362
• Monoisotopic Mass: 387.08735036
• SMILES: c12c3c(c(cc(=O)o3)C)ccc2OCN(c2cc(c(cc2OC)OC)Cl)C1
• Canonical SMILES: COc1cc(OC)c(cc1N1COc2c(C1)c1oc(=O)cc(c1cc2)C)Cl
• InChI: InChI=1S/C20H18ClNO5/c1-11-6-19(23)27-20-12(11)4-5-16-13(20)9-22(10-26-16)15-7-14(21)17(24-2)8-18(15)25-3/h4-8H,9-10H2,1-3H3
• InChIKey: CHRCGDUTBQPUBJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164262489
• PubChem CID: 1776025

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 3.984878
• LogD (pH = 7.4): 3.984878
• Log P: 3.984878
• Molar Refractivity: 101.9067 cm^3
• Polarizability: 38.861248 Å^3
• Polar Surface Area: 57.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds