2-{5-methyl-7-oxo-3-phenyl-7H-furo[3,2-g]chromen-6-yl}-N-[2-(morpholin-4-yl)ethyl]acetamide

• ChemBase ID: 214598
• Molecular Formular: C26H26N2O5
• Molecular Mass: 446.49504
• Monoisotopic Mass: 446.18417194
• SMILES: c1(c(c2c(oc1=O)cc1c(c(co1)c1ccccc1)c2)C)CC(=O)NCCN1CCOCC1
• Canonical SMILES: O=C(Cc1c(=O)oc2c(c1C)cc1c(c2)occ1c1ccccc1)NCCN1CCOCC1
• InChI: InChI=1S/C26H26N2O5/c1-17-19-13-21-22(18-5-3-2-4-6-18)16-32-23(21)15-24(19)33-26(30)20(17)14-25(29)27-7-8-28-9-11-31-12-10-28/h2-6,13,15-16H,7-12,14H2,1H3,(H,27,29)
• InChIKey: WIOULACFMGDPOG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{5-methyl-7-oxo-3-phenyl-7H-furo[3,2-g]chromen-6-yl}-N-[2-(morpholin-4-yl)ethyl]acetamide
• IUPAC Traditional name: 2-{5-methyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl}-N-[2-(morpholin-4-yl)ethyl]acetamide

Database IDs

• PubChem SID: 164270508
• PubChem CID: 4967899

CALCULATED PROPERTIES

• Acid pKa: 14.738002
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.8021175
• LogD (pH = 7.4): 2.595893
• Log P: 2.6258578
• Molar Refractivity: 124.2439 cm^3
• Polarizability: 50.305893 Å^3
• Polar Surface Area: 81.01 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds