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

• ChemBase ID: 204938
• Molecular Formular: C19H15Cl2NO3
• Molecular Mass: 376.2333
• Monoisotopic Mass: 375.04289871
• SMILES: c12c3c(OCN(C3)Cc3c(cc(cc3)Cl)Cl)ccc1c(cc(=O)o2)C
• Canonical SMILES: Clc1ccc(c(c1)Cl)CN1COc2c(C1)c1oc(=O)cc(c1cc2)C
• InChI: InChI=1S/C19H15Cl2NO3/c1-11-6-18(23)25-19-14(11)4-5-17-15(19)9-22(10-24-17)8-12-2-3-13(20)7-16(12)21/h2-7H,8-10H2,1H3
• InChIKey: RUEISSBADOGWSW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164260848
• PubChem CID: 1771413

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.734561
• LogD (pH = 7.4): 4.7375793
• Log P: 4.737618
• Molar Refractivity: 97.8992 cm^3
• Polarizability: 37.88493 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