methyl 2-[9-(furan-2-ylmethyl)-4-methyl-2-oxo-2H,8H,9H,10H-chromeno[8,7-e][1,3]oxazin-3-yl]acetate

• ChemBase ID: 216578
• Molecular Formular: C20H19NO6
• Molecular Mass: 369.36796
• Monoisotopic Mass: 369.12123733
• SMILES: c12c3c(OCN(C3)Cc3occc3)ccc2c(c(c(=O)o1)CC(=O)OC)C
• Canonical SMILES: COC(=O)Cc1c(=O)oc2c(c1C)ccc1c2CN(CO1)Cc1ccco1
• InChI: InChI=1S/C20H19NO6/c1-12-14-5-6-17-16(10-21(11-26-17)9-13-4-3-7-25-13)19(14)27-20(23)15(12)8-18(22)24-2/h3-7H,8-11H2,1-2H3
• InChIKey: FCVHQMAHORAAKT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-[9-(furan-2-ylmethyl)-4-methyl-2-oxo-2H,8H,9H,10H-chromeno[8,7-e][1,3]oxazin-3-yl]acetate
• IUPAC Traditional name: methyl 2-[9-(furan-2-ylmethyl)-4-methyl-2-oxo-8H,10H-chromeno[8,7-e][1,3]oxazin-3-yl]acetate

Database IDs

• PubChem SID: 164272488
• PubChem CID: 4913779

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.2361672
• LogD (pH = 7.4): 2.2552974
• Log P: 2.2555468
• Molar Refractivity: 96.0731 cm^3
• Polarizability: 37.325127 Å^3
• Polar Surface Area: 78.21 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds