12-methyl-3-(2-phenylethyl)-2,3,4,10-tetrahydro-1,11-dioxa-3-azatetraphen-10-one

• ChemBase ID: 207090
• Molecular Formular: C24H21NO3
• Molecular Mass: 371.42844
• Monoisotopic Mass: 371.15214354
• SMILES: c12c(c3c(c(=O)o1)cccc3)cc1c(c2C)OCN(C1)CCc1ccccc1
• Canonical SMILES: Cc1c2OCN(Cc2cc2c1oc(=O)c1c2cccc1)CCc1ccccc1
• InChI: InChI=1S/C24H21NO3/c1-16-22-18(14-25(15-27-22)12-11-17-7-3-2-4-8-17)13-21-19-9-5-6-10-20(19)24(26)28-23(16)21/h2-10,13H,11-12,14-15H2,1H3
• InChIKey: XQIKALUNLTWGOV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 12-methyl-3-(2-phenylethyl)-2,3,4,10-tetrahydro-1,11-dioxa-3-azatetraphen-10-one
• IUPAC Traditional name: 12-methyl-3-(2-phenylethyl)-2,4-dihydro-1,11-dioxa-3-azatetraphen-10-one

Database IDs

• PubChem SID: 164263000
• PubChem CID: 1778005

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.0977254
• LogD (pH = 7.4): 5.1731334
• Log P: 5.174185
• Molar Refractivity: 109.1943 cm^3
• Polarizability: 43.267662 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds