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

• ChemBase ID: 205935
• Molecular Formular: C26H21Cl2NO4
• Molecular Mass: 482.35524
• Monoisotopic Mass: 481.08476352
• SMILES: c12c(c(c3c(c2)CN(CO3)Cc2c(cc(cc2)Cl)Cl)C)oc(=O)cc1c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1cc(=O)oc2c1cc1CN(COc1c2C)Cc1ccc(cc1Cl)Cl
• InChI: InChI=1S/C26H21Cl2NO4/c1-15-25-18(13-29(14-32-25)12-17-3-6-19(27)10-23(17)28)9-22-21(11-24(30)33-26(15)22)16-4-7-20(31-2)8-5-16/h3-11H,12-14H2,1-2H3
• InChIKey: QOMFNACYLBPELE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164261845
• PubChem CID: 1775403

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 6.2226553
• LogD (pH = 7.4): 6.227115
• Log P: 6.2271724
• Molar Refractivity: 138.6743 cm^3
• Polarizability: 49.89641 Å^3
• Polar Surface Area: 48.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds