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

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

  • Molecular FormulaC27H31N5O5S
  • Average mass537.630 Da
  • Monoisotopic mass537.204590 Da
  • ChemSpider ID11538674

More details:

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

([(7-Carbamimidoyl-2-naphthyl)methyl]{4-[(1-ethanimidoyl-4-piperidinyl)oxy]phenyl}sulfamoyl)acetic acid [ACD/IUPAC Name]
([(7-Carbamimidoyl-2-naphthyl)methyl]{4-[(1-ethanimidoyl-4-piperidinyl)oxy]phenyl}sulfamoyl)essigsäure [German] [ACD/IUPAC Name]
{[(7-Carbamimidoylnaphthalen-2-Yl)methyl][4-({1-[(1e)-Ethanimidoyl]piperidin-4-Yl}oxy)phenyl]sulfamoyl}acetic Acid
Acetic acid, 2-[[[[7-(aminoiminomethyl)-2-naphthalenyl]methyl][4-[[1-(1-iminoethyl)-4-piperidinyl]oxy]phenyl]amino]sulfonyl]- [ACD/Index Name]
Acide ([(7-carbamimidoyl-2-naphtyl)méthyl]{4-[(1-ethanimidoyl-4-pipéridinyl)oxy]phényl}sulfamoyl)acétique [French] [ACD/IUPAC Name]
((7-carbamimidoyl-naphthalen-2-ylmethyl)-{4-[1-(1-imino-ethyl)-piperidin-4-yloxy]-phenyl}-sulfamoyl)-acetic acid
((7-Carbamimidoyl-naphthalen-2-ylmethyl)-{4-[1-(1-imino-ethyl)-piperidin-4-yloxy]-phenyl}-sulfamoyl)-acetic acid(YM-60828)
([(7-carbamimidoylnaphthalen-2-yl)methyl]{4-[(1-ethanimidoylpiperidin-4-yl)oxy]phenyl}sulfamoyl)acetic acid
{[(7-CARBAMIMIDOYLNAPHTHALEN-2-YL)METHYL]({4-[(1-ETHANIMIDOYLPIPERIDIN-4-YL)OXY]PHENYL})SULFAMOYL}ACETIC ACID
0CB
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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

Click to predict properties on the Chemicalize site


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