4-ethyl-9-(9-ethyl-9H-carbazol-3-yl)-2H,8H,9H,10H-chromeno[8,7-e][1,3]oxazin-2-one

• ChemBase ID: 204161
• Molecular Formular: C27H24N2O3
• Molecular Mass: 424.49106
• Monoisotopic Mass: 424.17869264
• SMILES: c12c3c(c(cc(=O)o3)CC)ccc2OCN(C1)c1cc2c(n(c3c2cccc3)CC)cc1
• Canonical SMILES: CCc1cc(=O)oc2c1ccc1c2CN(CO1)c1ccc2c(c1)c1ccccc1n2CC
• InChI: InChI=1S/C27H24N2O3/c1-3-17-13-26(30)32-27-19(17)10-12-25-22(27)15-28(16-31-25)18-9-11-24-21(14-18)20-7-5-6-8-23(20)29(24)4-2/h5-14H,3-4,15-16H2,1-2H3
• InChIKey: WBUAPOGKKXMZQL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164260071
• PubChem CID: 1767973

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.8388686
• LogD (pH = 7.4): 5.8388686
• Log P: 5.8388686
• Molar Refractivity: 125.836 cm^3
• Polarizability: 50.10566 Å^3
• Polar Surface Area: 43.7 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds