14-methoxy-4-[(4-methoxyphenyl)methyl]-6,18-dioxa-4-azatetracyclo[8.8.0.02,7.011,16]octadeca-1,7,9,11,13,15-hexaen-17-one

• ChemBase ID: 198813
• Molecular Formular: C24H21NO5
• Molecular Mass: 403.42724
• Monoisotopic Mass: 403.14197278
• SMILES: c12c3c(OCN(C3)Cc3ccc(cc3)OC)ccc2c2c(c(=O)o1)cc(cc2)OC
• Canonical SMILES: COc1ccc(cc1)CN1COc2c(C1)c1oc(=O)c3c(c1cc2)ccc(c3)OC
• InChI: InChI=1S/C24H21NO5/c1-27-16-5-3-15(4-6-16)12-25-13-21-22(29-14-25)10-9-19-18-8-7-17(28-2)11-20(18)24(26)30-23(19)21/h3-11H,12-14H2,1-2H3
• InChIKey: SYSWBRQHERRDTO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 14-methoxy-4-[(4-methoxyphenyl)methyl]-6,18-dioxa-4-azatetracyclo[8.8.0.0^2,^7.0^1^1,^1^6]octadeca-1,7,9,11,13,15-hexaen-17-one
• IUPAC Traditional name: 14-methoxy-4-[(4-methoxyphenyl)methyl]-6,18-dioxa-4-azatetracyclo[8.8.0.0^2,^7.0^1^1,^1^6]octadeca-1,7,9,11,13,15-hexaen-17-one

Database IDs

• PubChem SID: 164254723
• PubChem CID: 1802811

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 4.053391
• LogD (pH = 7.4): 4.056717
• Log P: 4.0567594
• Molar Refractivity: 112.3245 cm^3
• Polarizability: 44.726616 Å^3
• Polar Surface Area: 57.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds