methyl (2R)-2-[3-(4-fluorophenoxy)-4-oxo-4H,8H,9H,10H-chromeno[8,7-e][1,3]oxazin-9-yl]-3-phenylpropanoate

• ChemBase ID: 186012
• Molecular Formular: C27H22FNO6
• Molecular Mass: 475.4650832
• Monoisotopic Mass: 475.14311565
• SMILES: c12c3c(c(=O)c(co3)Oc3ccc(F)cc3)ccc2OCN(C1)[C@@H](C(=O)OC)Cc1ccccc1
• Canonical SMILES: COC(=O)[C@H](N1COc2c(C1)c1occ(c(=O)c1cc2)Oc1ccc(cc1)F)Cc1ccccc1
• InChI: InChI=1S/C27H22FNO6/c1-32-27(31)22(13-17-5-3-2-4-6-17)29-14-21-23(34-16-29)12-11-20-25(30)24(15-33-26(20)21)35-19-9-7-18(28)8-10-19/h2-12,15,22H,13-14,16H2,1H3/t22-/m1/s1
• InChIKey: JWGPMMWQXIKEHA-JOCHJYFZSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164241922
• PubChem CID: 1747906

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 4.940192
• LogD (pH = 7.4): 4.9404764
• Log P: 4.94048
• Molar Refractivity: 125.5448 cm^3
• Polarizability: 48.43917 Å^3
• Polar Surface Area: 74.3 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds