N-[2-(morpholin-4-yl)ethyl]-2-{tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl}acetamide

• ChemBase ID: 478981
• Molecular Formular: C23H28N2O2
• Molecular Mass: 364.48062
• Monoisotopic Mass: 364.21507815
• SMILES: C1(c2c(CCc3c1cccc3)cccc2)CC(=O)NCCN1CCOCC1
• Canonical SMILES: O=C(CC1c2ccccc2CCc2c1cccc2)NCCN1CCOCC1
• InChI: InChI=1S/C23H28N2O2/c26-23(24-11-12-25-13-15-27-16-14-25)17-22-20-7-3-1-5-18(20)9-10-19-6-2-4-8-21(19)22/h1-8,22H,9-17H2,(H,24,26)
• InChIKey: DGQMIEWHIVZFNC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(morpholin-4-yl)ethyl]-2-{tricyclo[9.4.0.0^3,^8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl}acetamide
• IUPAC Traditional name: N-[2-(morpholin-4-yl)ethyl]-2-{tricyclo[9.4.0.0^3,^8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl}acetamide
• Synonyms: 2-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-yl)-N-[2-(4-morpholinyl)ethyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.944457
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.4612913
• LogD (pH = 7.4): 3.2285993
• Log P: 3.2563803
• Molar Refractivity: 108.7029 cm^3
• Polarizability: 42.002075 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.75
• LOG S: -3.75
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 5