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

• ChemBase ID: 206450
• Molecular Formular: C34H30N2O3
• Molecular Mass: 514.6136
• Monoisotopic Mass: 514.22564283
• SMILES: c12c(c(c(c(=O)o1)Cc1ccccc1)C)cc1c(c2C)OCN(C1)c1cc2c(n(c3c2cccc3)CC)cc1
• Canonical SMILES: CCn1c2ccc(cc2c2c1cccc2)N1COc2c(C1)cc1c(c2C)oc(=O)c(c1C)Cc1ccccc1
• InChI: InChI=1S/C34H30N2O3/c1-4-36-30-13-9-8-12-26(30)29-18-25(14-15-31(29)36)35-19-24-17-27-21(2)28(16-23-10-6-5-7-11-23)34(37)39-33(27)22(3)32(24)38-20-35/h5-15,17-18H,4,16,19-20H2,1-3H3
• InChIKey: WJFYWFRSVIATFE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164262360
• PubChem CID: 1775600

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 7.8816442
• LogD (pH = 7.4): 7.8816442
• Log P: 7.8816442
• Molar Refractivity: 155.3293 cm^3
• Polarizability: 61.50975 Å^3
• Polar Surface Area: 43.7 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds