3-(9-ethyl-9H-carbazol-3-yl)-6,7,10-trimethyl-2H,3H,4H,8H-chromeno[6,7-e][1,3]oxazin-8-one

• ChemBase ID: 206374
• Molecular Formular: C28H26N2O3
• Molecular Mass: 438.51764
• Monoisotopic Mass: 438.1943427
• SMILES: c12c(c(c(c(=O)o1)C)C)cc1c(c2C)OCN(C1)c1cc2c(n(c3c2cccc3)CC)cc1
• Canonical SMILES: CCn1c2ccc(cc2c2c1cccc2)N1COc2c(C1)cc1c(c2C)oc(=O)c(c1C)C
• InChI: InChI=1S/C28H26N2O3/c1-5-30-24-9-7-6-8-21(24)23-13-20(10-11-25(23)30)29-14-19-12-22-16(2)17(3)28(31)33-27(22)18(4)26(19)32-15-29/h6-13H,5,14-15H2,1-4H3
• InChIKey: RWOJAAHEWJBGSL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(9-ethyl-9H-carbazol-3-yl)-6,7,10-trimethyl-2H,3H,4H,8H-chromeno[6,7-e][1,3]oxazin-8-one
• IUPAC Traditional name: 3-(9-ethylcarbazol-3-yl)-6,7,10-trimethyl-2H,4H-chromeno[6,7-e][1,3]oxazin-8-one

Database IDs

• PubChem SID: 164262284
• PubChem CID: 1807567

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 6.303272
• LogD (pH = 7.4): 6.303272
• Log P: 6.303272
• Molar Refractivity: 130.6333 cm^3
• Polarizability: 51.873833 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