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

• ChemBase ID: 205773
• Molecular Formular: C20H19NO4
• Molecular Mass: 337.36916
• Monoisotopic Mass: 337.13140809
• SMILES: c12c3c(OCN(C3)Cc3c(OC)cccc3)ccc1c(cc(=O)o2)C
• Canonical SMILES: COc1ccccc1CN1COc2c(C1)c1oc(=O)cc(c1cc2)C
• InChI: InChI=1S/C20H19NO4/c1-13-9-19(22)25-20-15(13)7-8-18-16(20)11-21(12-24-18)10-14-5-3-4-6-17(14)23-2/h3-9H,10-12H2,1-2H3
• InChIKey: QEJONPFPGHBQHT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164261683
• PubChem CID: 1774841

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.3475642
• LogD (pH = 7.4): 3.3715432
• Log P: 3.3718576
• Molar Refractivity: 94.7528 cm^3
• Polarizability: 36.639503 Å^3
• Polar Surface Area: 48.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds