9-ethyl-3-({4-[4-(morpholine-4-carbonyl)-1H-1,2,3-triazol-1-yl]piperidin-1-yl}methyl)-9H-carbazole

• ChemBase ID: 539688
• Molecular Formular: C27H32N6O2
• Molecular Mass: 472.58198
• Monoisotopic Mass: 472.25867429
• SMILES: c1(nnn(c1)C1CCN(Cc2cc3c(n(c4c3cccc4)CC)cc2)CC1)C(=O)N1CCOCC1
• Canonical SMILES: CCn1c2ccc(cc2c2c1cccc2)CN1CCC(CC1)n1nnc(c1)C(=O)N1CCOCC1
• InChI: InChI=1S/C27H32N6O2/c1-2-32-25-6-4-3-5-22(25)23-17-20(7-8-26(23)32)18-30-11-9-21(10-12-30)33-19-24(28-29-33)27(34)31-13-15-35-16-14-31/h3-8,17,19,21H,2,9-16,18H2,1H3
• InChIKey: NTBINEXILIPBHY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-ethyl-3-({4-[4-(morpholine-4-carbonyl)-1H-1,2,3-triazol-1-yl]piperidin-1-yl}methyl)-9H-carbazole
• IUPAC Traditional name: 9-ethyl-3-({4-[4-(morpholine-4-carbonyl)-1,2,3-triazol-1-yl]piperidin-1-yl}methyl)carbazole
• Synonyms: 9-ethyl-3-({4-[4-(4-morpholinylcarbonyl)-1H-1,2,3-triazol-1-yl]-1-piperidinyl}methyl)-9H-carbazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.16809182
• LogD (pH = 7.4): 1.4982331
• Log P: 2.9349754
• Molar Refractivity: 148.0159 cm^3
• Polarizability: 54.10706 Å^3
• Polar Surface Area: 68.42 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 2.76
• LOG S: -4.72
• Polar Surface Area: 68.42 Å^2
• Rotatable Bonds: 4