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

• ChemBase ID: 710144
• Molecular Formular: C24H30N2O2
• Molecular Mass: 378.5072
• Monoisotopic Mass: 378.23072821
• SMILES: C1(c2c(CCc3c1cccc3)cccc2)CC(=O)NCCCN1CCOCC1
• Canonical SMILES: O=C(CC1c2ccccc2CCc2c1cccc2)NCCCN1CCOCC1
• InChI: InChI=1S/C24H30N2O2/c27-24(25-12-5-13-26-14-16-28-17-15-26)18-23-21-8-3-1-6-19(21)10-11-20-7-2-4-9-22(20)23/h1-4,6-9,23H,5,10-18H2,(H,25,27)
• InChIKey: REZSWVOBYMCXAD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(morpholin-4-yl)propyl]-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-[3-(morpholin-4-yl)propyl]-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-[3-(4-morpholinyl)propyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.021824
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.8031762
• LogD (pH = 7.4): 3.1696782
• Log P: 3.31634
• Molar Refractivity: 113.5683 cm^3
• Polarizability: 43.84674 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.89
• LOG S: -4.16
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 6