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

• ChemBase ID: 207111
• Molecular Formular: C27H24N2O3
• Molecular Mass: 424.49106
• Monoisotopic Mass: 424.17869264
• SMILES: c12c3CN(c4cc5c(n(c6c5cccc6)CC)cc4)COc3ccc2c(c(c(=O)o1)C)C
• Canonical SMILES: CCn1c2ccc(cc2c2c1cccc2)N1COc2c(C1)c1oc(=O)c(c(c1cc2)C)C
• InChI: InChI=1S/C27H24N2O3/c1-4-29-23-8-6-5-7-20(23)21-13-18(9-11-24(21)29)28-14-22-25(31-15-28)12-10-19-16(2)17(3)27(30)32-26(19)22/h5-13H,4,14-15H2,1-3H3
• InChIKey: XZVPGNUPTFVNTA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164263021
• PubChem CID: 1778076

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.78985
• LogD (pH = 7.4): 5.78985
• Log P: 5.78985
• Molar Refractivity: 125.5921 cm^3
• Polarizability: 50.105534 Å^3
• Polar Surface Area: 43.7 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds