methyl 2-{3-[(4-methoxyphenyl)methyl]-6,10-dimethyl-8-oxo-2H,3H,4H,8H-chromeno[6,7-e][1,3]oxazin-7-yl}acetate

• ChemBase ID: 216684
• Molecular Formular: C24H25NO6
• Molecular Mass: 423.4584
• Monoisotopic Mass: 423.16818753
• SMILES: c12c(c(c(c(=O)o1)CC(=O)OC)C)cc1c(c2C)OCN(C1)Cc1ccc(cc1)OC
• Canonical SMILES: COC(=O)Cc1c(=O)oc2c(c1C)cc1c(c2C)OCN(C1)Cc1ccc(cc1)OC
• InChI: InChI=1S/C24H25NO6/c1-14-19-9-17-12-25(11-16-5-7-18(28-3)8-6-16)13-30-22(17)15(2)23(19)31-24(27)20(14)10-21(26)29-4/h5-9H,10-13H2,1-4H3
• InChIKey: HHORYBSQPNNINT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-{3-[(4-methoxyphenyl)methyl]-6,10-dimethyl-8-oxo-2H,3H,4H,8H-chromeno[6,7-e][1,3]oxazin-7-yl}acetate
• IUPAC Traditional name: methyl 2-{3-[(4-methoxyphenyl)methyl]-6,10-dimethyl-8-oxo-2H,4H-chromeno[6,7-e][1,3]oxazin-7-yl}acetate

Database IDs

• PubChem SID: 164272594
• PubChem CID: 4913849

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 3.4991324
• LogD (pH = 7.4): 3.5503566
• Log P: 3.5510504
• Molar Refractivity: 115.1866 cm^3
• Polarizability: 44.709267 Å^3
• Polar Surface Area: 74.3 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds