10-{2-methoxy-4-[(1E)-prop-1-en-1-yl]phenoxy}-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2(7),3,5,9,11,13-heptaen-8-one

• ChemBase ID: 186851
• Molecular Formular: C24H17NO4
• Molecular Mass: 383.39608
• Monoisotopic Mass: 383.11575803
• SMILES: c12c3c(onc3ccc2Oc2c(cc(/C=C/C)cc2)OC)c2c(C1=O)cccc2
• Canonical SMILES: C/C=C/c1ccc(c(c1)OC)Oc1ccc2c3c1C(=O)c1ccccc1c3on2
• InChI: InChI=1S/C24H17NO4/c1-3-6-14-9-11-18(20(13-14)27-2)28-19-12-10-17-21-22(19)23(26)15-7-4-5-8-16(15)24(21)29-25-17/h3-13H,1-2H3/b6-3+
• InChIKey: SMEKTXRVVZRETP-ZZXKWVIFSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 10-{2-methoxy-4-[(1E)-prop-1-en-1-yl]phenoxy}-15-oxa-14-azatetracyclo[7.6.1.0^2,^7.0^1^3,^1^6]hexadeca-1(16),2(7),3,5,9,11,13-heptaen-8-one
• IUPAC Traditional name: 10-{2-methoxy-4-[(1E)-prop-1-en-1-yl]phenoxy}-15-oxa-14-azatetracyclo[7.6.1.0^2,^7.0^1^3,^1^6]hexadeca-1(16),2(7),3,5,9,11,13-heptaen-8-one

Database IDs

• PubChem SID: 164242761
• PubChem CID: 1756898

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.2324047
• LogD (pH = 7.4): 5.232405
• Log P: 5.232405
• Molar Refractivity: 111.1732 cm^3
• Polarizability: 44.376137 Å^3
• Polar Surface Area: 61.56 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds