ChemSpider 2D Image | 1-{3-[(5-{[N,N-Bis(2-hydroxyethyl)glycyl](4-hydroxybenzyl)amino}pentyl)amino]-3-oxopropyl}-4-piperidinyl 2-biphenylylcarbamate | C39H53N5O7

1-{3-[(5-{[N,N-Bis(2-hydroxyethyl)glycyl](4-hydroxybenzyl)amino}pentyl)amino]-3-oxopropyl}-4-piperidinyl 2-biphenylylcarbamate

  • Molecular FormulaC39H53N5O7
  • Average mass703.867 Da
  • Monoisotopic mass703.394470 Da
  • ChemSpider ID9506436

More details:

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

1-{3-[(5-{[N,N-Bis(2-hydroxyethyl)glycyl](4-hydroxybenzyl)amino}pentyl)amino]-3-oxopropyl}-4-piperidinyl 2-biphenylylcarbamate [ACD/IUPAC Name]
1-{3-[(5-{[N,N-Bis(2-hydroxyethyl)glycyl](4-hydroxybenzyl)amino}pentyl)amino]-3-oxopropyl}-4-piperidinyl-2-biphenylylcarbamat [German] [ACD/IUPAC Name]
2-Biphénylylcarbamate de 1-{3-[(5-{[N,N-bis(2-hydroxyéthyl)glycyl](4-hydroxybenzyl)amino}pentyl)amino]-3-oxopropyl}-4-pipéridinyle [French] [ACD/IUPAC Name]
Carbamic acid, N-[1,1'-biphenyl]-2-yl-, 1-[3-[[5-[[2-[bis(2-hydroxyethyl)amino]acetyl][(4-hydroxyphenyl)methyl]amino]pentyl]amino]-3-oxopropyl]-4-piperidinyl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 902.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 137.5±3.0 kJ/mol
Flash Point: 499.7±34.3 °C
Index of Refraction: 1.633
Molar Refractivity: 197.0±0.4 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 3
ACD/LogP: 4.30
ACD/LogD (pH 5.5): 1.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.76
ACD/LogD (pH 7.4): 3.03
ACD/BCF (pH 7.4): 94.03
ACD/KOC (pH 7.4): 685.51
Polar Surface Area: 155 Å2
Polarizability: 78.1±0.5 10-24cm3
Surface Tension: 67.3±5.0 dyne/cm
Molar Volume: 551.6±5.0 cm3

Click to predict properties on the Chemicalize site


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