ChemSpider 2D Image | Methyl N-{1-[(7-carbamimidoyl-2-naphthyl)methyl]-2-methyl-1H-benzimidazol-5-yl}-N-(1-ethanimidoyl-4-piperidinyl)glycinate | C30H35N7O2

Methyl N-{1-[(7-carbamimidoyl-2-naphthyl)methyl]-2-methyl-1H-benzimidazol-5-yl}-N-(1-ethanimidoyl-4-piperidinyl)glycinate

  • Molecular FormulaC30H35N7O2
  • Average mass525.645 Da
  • Monoisotopic mass525.285217 Da
  • ChemSpider ID23240722

More details:

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

Glycine, N-[1-[[7-(aminoiminomethyl)-2-naphthalenyl]methyl]-2-methyl-1H-benzimidazol-5-yl]-N-[1-(1-iminoethyl)-4-piperidinyl]-, methyl ester [ACD/Index Name]
Methyl N-{1-[(7-carbamimidoyl-2-naphthyl)methyl]-2-methyl-1H-benzimidazol-5-yl}-N-(1-ethanimidoyl-4-piperidinyl)glycinate [ACD/IUPAC Name]
methyl N-{1-[(7-carbamimidoylnaphthalen-2-yl)methyl]-2-methyl-1H-benzimidazol-5-yl}-N-(1-ethanimidoylpiperidin-4-yl)glycinate
Methyl-N-{1-[(7-carbamimidoyl-2-naphthyl)methyl]-2-methyl-1H-benzimidazol-5-yl}-N-(1-ethanimidoyl-4-piperidinyl)glycinat [German] [ACD/IUPAC Name]
N-{1-[(7-Carbamimidoyl-2-naphtyl)méthyl]-2-méthyl-1H-benzimidazol-5-yl}-N-(1-ethanimidoyl-4-pipéridinyl)glycinate de méthyle [French] [ACD/IUPAC Name]
{[1-(7-Carbamimidoyl-naphthalen-2-ylmethyl)-2-methyl-1H-benzoimidazol-5-yl]-[1-(1-imino-ethyl)-piperidin-4-yl]-amino}-acetic acid methyl ester
CHEMBL355097
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL355097/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 747.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.9±3.0 kJ/mol
Flash Point: 405.6±35.7 °C
Index of Refraction: 1.674
Molar Refractivity: 150.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 2.02
ACD/LogD (pH 5.5): -0.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.00
Polar Surface Area: 124 Å2
Polarizability: 59.6±0.5 10-24cm3
Surface Tension: 53.6±7.0 dyne/cm
Molar Volume: 400.8±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement