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

• ChemBase ID: 471154
• Molecular Formular: C24H25N3O
• Molecular Mass: 371.4748
• Monoisotopic Mass: 371.19976244
• SMILES: C1(c2c(CCc3c1cccc3)cccc2)CC(=O)NC(Cc1nccnc1)C
• Canonical SMILES: CC(Cc1cnccn1)NC(=O)CC1c2ccccc2CCc2c1cccc2
• InChI: InChI=1S/C24H25N3O/c1-17(14-20-16-25-12-13-26-20)27-24(28)15-23-21-8-4-2-6-18(21)10-11-19-7-3-5-9-22(19)23/h2-9,12-13,16-17,23H,10-11,14-15H2,1H3,(H,27,28)
• InChIKey: TUNNSSPZOGPSKS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(pyrazin-2-yl)propan-2-yl]-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-[1-(pyrazin-2-yl)propan-2-yl]-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-[1-methyl-2-(2-pyrazinyl)ethyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.435346
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.4804196
• LogD (pH = 7.4): 3.480424
• Log P: 3.4804242
• Molar Refractivity: 110.5041 cm^3
• Polarizability: 42.794617 Å^3
• Polar Surface Area: 54.88 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: 3.1
• LOG S: -4.77
• Polar Surface Area: 54.88 Å^2
• Rotatable Bonds: 5