6-butyl-3-[(4-methoxyphenyl)methyl]-10-methyl-2H,3H,4H,8H-chromeno[6,7-e][1,3]oxazin-8-one

• ChemBase ID: 204705
• Molecular Formular: C24H27NO4
• Molecular Mass: 393.47548
• Monoisotopic Mass: 393.19400835
• SMILES: c12c(c(cc(=O)o2)CCCC)cc2c(c1C)OCN(C2)Cc1ccc(cc1)OC
• Canonical SMILES: CCCCc1cc(=O)oc2c1cc1CN(COc1c2C)Cc1ccc(cc1)OC
• InChI: InChI=1S/C24H27NO4/c1-4-5-6-18-12-22(26)29-24-16(2)23-19(11-21(18)24)14-25(15-28-23)13-17-7-9-20(27-3)10-8-17/h7-12H,4-6,13-15H2,1-3H3
• InChIKey: NFWHNYXNJLCTLX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-butyl-3-[(4-methoxyphenyl)methyl]-10-methyl-2H,3H,4H,8H-chromeno[6,7-e][1,3]oxazin-8-one
• IUPAC Traditional name: 6-butyl-3-[(4-methoxyphenyl)methyl]-10-methyl-2H,4H-chromeno[6,7-e][1,3]oxazin-8-one

Database IDs

• PubChem SID: 164260615
• PubChem CID: 1770093

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 5.1666503
• LogD (pH = 7.4): 5.218285
• Log P: 5.218985
• Molar Refractivity: 113.597 cm^3
• Polarizability: 43.93203 Å^3
• Polar Surface Area: 48.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds