10-[2-methoxy-4-(prop-2-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: 186871
• Molecular Formular: C24H17NO4
• Molecular Mass: 383.39608
• Monoisotopic Mass: 383.11575803
• SMILES: c12c3c(onc3ccc2Oc2c(cc(cc2)CC=C)OC)c2c(C1=O)cccc2
• Canonical SMILES: C=CCc1ccc(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/h3-5,7-13H,1,6H2,2H3
• InChIKey: GUGVCQARSIJZMI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 10-[2-methoxy-4-(prop-2-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-(prop-2-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: 164242781
• PubChem CID: 1756916

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.2076383
• LogD (pH = 7.4): 5.2076387
• Log P: 5.2076387
• Molar Refractivity: 110.1007 cm^3
• Polarizability: 44.29894 Å^3
• Polar Surface Area: 61.56 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds