Found 1 result

Search term: CC(C)c1cc2c(cc(OC3CCN(CC3)C(C)=N)cc2n1Cc1ccc2ccc(cc2c1)C(N)=N)C(O)=O (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | 1-[(7-Carbamimidoyl-2-naphthyl)methyl]-6-[(1-ethanimidoyl-4-piperidinyl)oxy]-2-isopropyl-1H-indole-4-carboxylic acid | C31H35N5O3

1-[(7-Carbamimidoyl-2-naphthyl)methyl]-6-[(1-ethanimidoyl-4-piperidinyl)oxy]-2-isopropyl-1H-indole-4-carboxylic acid

  • Molecular FormulaC31H35N5O3
  • Average mass525.641 Da
  • Monoisotopic mass525.273987 Da
  • ChemSpider ID35033329

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-[(7-Carbamimidoyl-2-naphthyl)methyl]-6-[(1-ethanimidoyl-4-piperidinyl)oxy]-2-isopropyl-1H-indol-4-carbonsäure [German] [ACD/IUPAC Name]
1-[(7-Carbamimidoyl-2-naphthyl)methyl]-6-[(1-ethanimidoyl-4-piperidinyl)oxy]-2-isopropyl-1H-indole-4-carboxylic acid [ACD/IUPAC Name]
1-[(7-Carbamimidoylnaphthalen-2-Yl)methyl]-6-({1-[(1z)-Ethanimidoyl]piperidin-4-Yl}oxy)-2-(Propan-2-Yl)-1h-Indole-4-Carboxylic Acid
1H-Indole-4-carboxylic acid, 1-[[7-(aminoiminomethyl)-2-naphthalenyl]methyl]-6-[[1-(1-iminoethyl)-4-piperidinyl]oxy]-2-(1-methylethyl)- [ACD/Index Name]
Acide 1-[(7-carbamimidoyl-2-naphtyl)méthyl]-6-[(1-ethanimidoyl-4-pipéridinyl)oxy]-2-isopropyl-1H-indole-4-carboxylique [French] [ACD/IUPAC Name]
0CA

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 757.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.8±3.0 kJ/mol
Flash Point: 411.8±35.7 °C
Index of Refraction: 1.670
Molar Refractivity: 148.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 3.87
ACD/LogD (pH 5.5): 1.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.24
ACD/LogD (pH 7.4): 1.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.05
Polar Surface Area: 128 Å2
Polarizability: 59.0±0.5 10-24cm3
Surface Tension: 52.9±7.0 dyne/cm
Molar Volume: 398.7±7.0 cm3

Click to predict properties on the Chemicalize site


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