4-(furan-2-ylmethyl)-6,17-dioxa-4-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1,7,9,11(15)-tetraen-16-one

• ChemBase ID: 200570
• Molecular Formular: C19H17NO4
• Molecular Mass: 323.34258
• Monoisotopic Mass: 323.11575803
• SMILES: c12c3c(OCN(C3)Cc3occc3)ccc2c2c(c(=O)o1)CCC2
• Canonical SMILES: O=c1oc2c3CN(COc3ccc2c2c1CCC2)Cc1ccco1
• InChI: InChI=1S/C19H17NO4/c21-19-15-5-1-4-13(15)14-6-7-17-16(18(14)24-19)10-20(11-23-17)9-12-3-2-8-22-12/h2-3,6-8H,1,4-5,9-11H2
• InChIKey: OMOJGIDJPZGDCP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(furan-2-ylmethyl)-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-(furan-2-ylmethyl)-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: 164256480
• PubChem CID: 908549

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.946819
• LogD (pH = 7.4): 2.9659197
• Log P: 2.9661686
• Molar Refractivity: 87.8364 cm^3
• Polarizability: 33.95005 Å^3
• Polar Surface Area: 51.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds