2-methyl-6-(2,4,6-trimethylphenyl)-4,17-dioxa-6-azatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3(8),9,11(15)-tetraen-16-one

• ChemBase ID: 205850
• Molecular Formular: C24H25NO3
• Molecular Mass: 375.4602
• Monoisotopic Mass: 375.18344367
• SMILES: c12c(c3c(c(=O)o1)CCC3)cc1c(c2C)OCN(c2c(cc(cc2C)C)C)C1
• Canonical SMILES: Cc1cc(C)c(c(c1)C)N1COc2c(C1)cc1c(c2C)oc(=O)c2c1CCC2
• InChI: InChI=1S/C24H25NO3/c1-13-8-14(2)21(15(3)9-13)25-11-17-10-20-18-6-5-7-19(18)24(26)28-23(20)16(4)22(17)27-12-25/h8-10H,5-7,11-12H2,1-4H3
• InChIKey: FROJFHVOAKJODM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-6-(2,4,6-trimethylphenyl)-4,17-dioxa-6-azatetracyclo[8.7.0.0^3,^8.0^1^1,^1^5]heptadeca-1,3(8),9,11(15)-tetraen-16-one
• IUPAC Traditional name: 2-methyl-6-(2,4,6-trimethylphenyl)-4,17-dioxa-6-azatetracyclo[8.7.0.0^3,^8.0^1^1,^1^5]heptadeca-1,3(8),9,11(15)-tetraen-16-one

Database IDs

• PubChem SID: 164261760
• PubChem CID: 1775127

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 6.1262546
• LogD (pH = 7.4): 6.1262546
• Log P: 6.1262546
• Molar Refractivity: 111.4962 cm^3
• Polarizability: 41.910515 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds