ChemSpider 2D Image | {[(7-Carbamimidoyl-2-naphthyl)methyl][4-({1-[(1E)-ethanimidoyl]-4-piperidinyl}oxy)phenyl]sulfamoyl}acetic acid | C27H31N5O5S

{[(7-Carbamimidoyl-2-naphthyl)methyl][4-({1-[(1E)-ethanimidoyl]-4-piperidinyl}oxy)phenyl]sulfamoyl}acetic acid

  • Molecular FormulaC27H31N5O5S
  • Average mass537.630 Da
  • Monoisotopic mass537.204590 Da
  • ChemSpider ID7982997

  • Double-bond stereo - Double-bond stereo

More details:

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

{[(7-Carbamimidoyl-2-naphthyl)methyl][4-({1-[(1E)-ethanimidoyl]-4-piperidinyl}oxy)phenyl]sulfamoyl}acetic acid [ACD/IUPAC Name]
{[(7-Carbamimidoyl-2-naphthyl)methyl][4-({1-[(1E)-ethanimidoyl]-4-piperidinyl}oxy)phenyl]sulfamoyl}essigsäure [German] [ACD/IUPAC Name]
Acetic acid, 2-[[[[7-[(Z)-aminoiminomethyl]-2-naphthalenyl]methyl][4-[[1-[(1E)-1-iminoethyl]-4-piperidinyl]oxy]phenyl]amino]sulfonyl]- [ACD/Index Name]
Acide {[(7-carbamimidoyl-2-naphtyl)méthyl][4-({1-[(1E)-ethanimidoyl]-4-pipéridinyl}oxy)phényl]sulfamoyl}acétique [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 777.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.7±3.0 kJ/mol
Flash Point: 424.1±35.7 °C
Index of Refraction: 1.666
Molar Refractivity: 143.1±0.5 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 0.01
ACD/LogD (pH 5.5): -2.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 169 Å2
Polarizability: 56.7±0.5 10-24cm3
Surface Tension: 60.0±7.0 dyne/cm
Molar Volume: 384.9±7.0 cm3

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