4-[2-methyl-6-(propan-2-yl)phenyl]-6,17-dioxa-4-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1,7,9,11(15)-tetraen-16-one

• ChemBase ID: 207248
• Molecular Formular: C24H25NO3
• Molecular Mass: 375.4602
• Monoisotopic Mass: 375.18344367
• SMILES: c12c3CN(c4c(C(C)C)cccc4C)COc3ccc2c2c(c(=O)o1)CCC2
• Canonical SMILES: CC(c1cccc(c1N1COc2c(C1)c1oc(=O)c3c(c1cc2)CCC3)C)C
• InChI: InChI=1S/C24H25NO3/c1-14(2)16-7-4-6-15(3)22(16)25-12-20-21(27-13-25)11-10-18-17-8-5-9-19(17)24(26)28-23(18)20/h4,6-7,10-11,14H,5,8-9,12-13H2,1-3H3
• InChIKey: ARZRBYBOKOROQH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-methyl-6-(propan-2-yl)phenyl]-6,17-dioxa-4-azatetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadeca-1,7,9,11(15)-tetraen-16-one
• IUPAC Traditional name: 4-(2-isopropyl-6-methylphenyl)-6,17-dioxa-4-azatetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadeca-1,7,9,11(15)-tetraen-16-one

Database IDs

• PubChem SID: 164263158
• PubChem CID: 1778501

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.831
• LogD (pH = 7.4): 5.831
• Log P: 5.831
• Molar Refractivity: 110.5634 cm^3
• Polarizability: 42.063522 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds