2-(morpholin-3-yl)-N-(1-oxo-2,3,4,9-tetrahydro-1H-carbazol-7-yl)acetamide

• ChemBase ID: 633043
• Molecular Formular: C18H21N3O3
• Molecular Mass: 327.37764
• Monoisotopic Mass: 327.15829155
• SMILES: c12[nH]c3c(c1CCCC2=O)ccc(c3)NC(=O)CC1NCCOC1
• Canonical SMILES: O=C(Nc1ccc2c(c1)[nH]c1c2CCCC1=O)CC1COCCN1
• InChI: InChI=1S/C18H21N3O3/c22-16-3-1-2-14-13-5-4-11(8-15(13)21-18(14)16)20-17(23)9-12-10-24-7-6-19-12/h4-5,8,12,19,21H,1-3,6-7,9-10H2,(H,20,23)
• InChIKey: QRAJTYUAIDTXLW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(morpholin-3-yl)-N-(1-oxo-2,3,4,9-tetrahydro-1H-carbazol-7-yl)acetamide
• IUPAC Traditional name: 2-(morpholin-3-yl)-N-(8-oxo-5,6,7,9-tetrahydrocarbazol-2-yl)acetamide
• Synonyms: 2-(3-morpholinyl)-N-(1-oxo-2,3,4,9-tetrahydro-1H-carbazol-7-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.143914
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -1.1641437
• LogD (pH = 7.4): 0.5523357
• Log P: 1.124328
• Molar Refractivity: 91.7321 cm^3
• Polarizability: 35.959217 Å^3
• Polar Surface Area: 83.22 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: -0.07
• LOG S: -2.84
• Polar Surface Area: 83.22 Å^2
• Rotatable Bonds: 3