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

• ChemBase ID: 206472
• Molecular Formular: C19H16ClNO3
• Molecular Mass: 341.78824
• Monoisotopic Mass: 341.08187106
• SMILES: c12c3c(OCN(C3)Cc3cc(Cl)ccc3)ccc1c(cc(=O)o2)C
• Canonical SMILES: Clc1cccc(c1)CN1COc2c(C1)c1oc(=O)cc(c1cc2)C
• InChI: InChI=1S/C19H16ClNO3/c1-12-7-18(22)24-19-15(12)5-6-17-16(19)10-21(11-23-17)9-13-3-2-4-14(20)8-13/h2-8H,9-11H2,1H3
• InChIKey: WSMJIHYAESAIDE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164262382
• PubChem CID: 1775662

CALCULATED PROPERTIES

• LogD (pH = 5.5): 4.1204104
• LogD (pH = 7.4): 4.133405
• Log P: 4.1335735
• Molar Refractivity: 93.0944 cm^3
• Polarizability: 35.987507 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds