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

• ChemBase ID: 223911
• Molecular Formular: C23H25NO5
• Molecular Mass: 395.4483
• Monoisotopic Mass: 395.17327291
• SMILES: c12oc(=O)c(c(c2ccc2c1CN(CO2)CCCOC)C)c1ccc(cc1)OC
• Canonical SMILES: COCCCN1COc2c(C1)c1oc(=O)c(c(c1cc2)C)c1ccc(cc1)OC
• InChI: InChI=1S/C23H25NO5/c1-15-18-9-10-20-19(13-24(14-28-20)11-4-12-26-2)22(18)29-23(25)21(15)16-5-7-17(27-3)8-6-16/h5-10H,4,11-14H2,1-3H3
• InChIKey: CMXKWESSGGDVPC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164279821
• PubChem CID: 25282330

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 3.1834424
• LogD (pH = 7.4): 3.3262942
• Log P: 3.3284564
• Molar Refractivity: 110.5012 cm^3
• Polarizability: 42.9234 Å^3
• Polar Surface Area: 57.23 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds