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

• ChemBase ID: 201205
• Molecular Formular: C24H21NO4
• Molecular Mass: 387.42784
• Monoisotopic Mass: 387.14705816
• SMILES: c12c3c(OCN(C3)Cc3occc3)ccc2c(c(c(=O)o1)Cc1ccccc1)C
• Canonical SMILES: O=c1oc2c3CN(COc3ccc2c(c1Cc1ccccc1)C)Cc1ccco1
• InChI: InChI=1S/C24H21NO4/c1-16-19-9-10-22-21(14-25(15-28-22)13-18-8-5-11-27-18)23(19)29-24(26)20(16)12-17-6-3-2-4-7-17/h2-11H,12-15H2,1H3
• InChIKey: LULNLTCAHQZOBC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164257115
• PubChem CID: 1759303

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.544286
• LogD (pH = 7.4): 4.563449
• Log P: 4.563699
• Molar Refractivity: 109.7336 cm^3
• Polarizability: 42.421482 Å^3
• Polar Surface Area: 51.91 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds