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

• ChemBase ID: 207013
• Molecular Formular: C33H28N2O4
• Molecular Mass: 516.58642
• Monoisotopic Mass: 516.20490739
• SMILES: c12c(c(c3c(c2)CN(c2cc4c(n(c5c4cccc5)CC)cc2)CO3)C)oc(=O)cc1c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1cc(=O)oc2c1cc1CN(COc1c2C)c1ccc2c(c1)c1ccccc1n2CC
• InChI: InChI=1S/C33H28N2O4/c1-4-35-29-8-6-5-7-25(29)27-16-23(11-14-30(27)35)34-18-22-15-28-26(21-9-12-24(37-3)13-10-21)17-31(36)39-33(28)20(2)32(22)38-19-34/h5-17H,4,18-19H2,1-3H3
• InChIKey: NUHZAQDJLOWWPR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164262923
• PubChem CID: 1777775

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 6.883854
• LogD (pH = 7.4): 6.883854
• Log P: 6.883854
• Molar Refractivity: 162.0101 cm^3
• Polarizability: 60.287308 Å^3
• Polar Surface Area: 52.93 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds