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

• ChemBase ID: 450762
• Molecular Formular: C22H24N2O3
• Molecular Mass: 364.43756
• Monoisotopic Mass: 364.17869264
• SMILES: C1(c2c(CCc3c1cccc3)cccc2)CC(=O)NCCN1C(=O)OCC1
• Canonical SMILES: O=C(CC1c2ccccc2CCc2c1cccc2)NCCN1CCOC1=O
• InChI: InChI=1S/C22H24N2O3/c25-21(23-11-12-24-13-14-27-22(24)26)15-20-18-7-3-1-5-16(18)9-10-17-6-2-4-8-19(17)20/h1-8,20H,9-15H2,(H,23,25)
• InChIKey: NSHJKEJZCKAEEC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(2-oxo-1,3-oxazolidin-3-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-(2-oxo-1,3-oxazolidin-3-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-(2-oxo-1,3-oxazolidin-3-yl)ethyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.732861
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.1495411
• LogD (pH = 7.4): 3.1495411
• Log P: 3.1495411
• Molar Refractivity: 103.5542 cm^3
• Polarizability: 39.829224 Å^3
• Polar Surface Area: 58.64 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: 3.48
• LOG S: -4.85
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 5