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

• ChemBase ID: 206399
• Molecular Formular: C26H21Cl2NO4
• Molecular Mass: 482.35524
• Monoisotopic Mass: 481.08476352
• SMILES: c12c(c(c3c(c2)CN(CO3)Cc2cc(c(cc2)Cl)Cl)C)oc(=O)cc1c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1cc(=O)oc2c1cc1CN(COc1c2C)Cc1ccc(c(c1)Cl)Cl
• InChI: InChI=1S/C26H21Cl2NO4/c1-15-25-18(13-29(14-32-25)12-16-3-8-22(27)23(28)9-16)10-21-20(11-24(30)33-26(15)21)17-4-6-19(31-2)7-5-17/h3-11H,12-14H2,1-2H3
• InChIKey: CGMKAKHLKQDNHS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164262309
• PubChem CID: 1775425

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 6.2222266
• LogD (pH = 7.4): 6.22711
• Log P: 6.2271724
• Molar Refractivity: 138.6743 cm^3
• Polarizability: 49.920788 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