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

• ChemBase ID: 207172
• Molecular Formular: C19H15Cl2NO3
• Molecular Mass: 376.2333
• Monoisotopic Mass: 375.04289871
• SMILES: c12c3c(OCN(C3)Cc3cc(c(cc3)Cl)Cl)ccc1c(cc(=O)o2)C
• Canonical SMILES: O=c1cc(C)c2c(o1)c1CN(COc1cc2)Cc1ccc(c(c1)Cl)Cl
• InChI: InChI=1S/C19H15Cl2NO3/c1-11-6-18(23)25-19-13(11)3-5-17-14(19)9-22(10-24-17)8-12-2-4-15(20)16(21)7-12/h2-7H,8-10H2,1H3
• InChIKey: ZCHNPORAYWGHKO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164263082
• PubChem CID: 1778283

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.734267
• LogD (pH = 7.4): 4.737576
• Log P: 4.737618
• Molar Refractivity: 97.8992 cm^3
• Polarizability: 37.909042 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds