ChemSpider 2D Image | Ethyl 4-{[(1-{[4-(diphenylmethyl)-1-piperazinyl]acetyl}-3-oxo-2-piperazinyl)acetyl]amino}benzoate | C34H39N5O5

Ethyl 4-{[(1-{[4-(diphenylmethyl)-1-piperazinyl]acetyl}-3-oxo-2-piperazinyl)acetyl]amino}benzoate

  • Molecular FormulaC34H39N5O5
  • Average mass597.704 Da
  • Monoisotopic mass597.295105 Da
  • ChemSpider ID23477207

More details:

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

4-{[2-(1-{2-[4-(Diphénylméthyl)-1-pipérazinyl]acétyl}-3-oxo-2-pipérazinyl)acétyl]amino}benzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[2-[1-[2-[4-(diphenylmethyl)-1-piperazinyl]acetyl]-3-oxo-2-piperazinyl]acetyl]amino]-, ethyl ester [ACD/Index Name]
Ethyl 4-{[(1-{[4-(diphenylmethyl)-1-piperazinyl]acetyl}-3-oxo-2-piperazinyl)acetyl]amino}benzoate [ACD/IUPAC Name]
Ethyl 4-{[(1-{[4-(diphenylmethyl)piperazin-1-yl]acetyl}-3-oxopiperazin-2-yl)acetyl]amino}benzoate
Ethyl-4-{[(1-{[4-(diphenylmethyl)-1-piperazinyl]acetyl}-3-oxo-2-piperazinyl)acetyl]amino}benzoat [German] [ACD/IUPAC Name]
ETHYL 4-[2-(1-{2-[4-(DIPHENYLMETHYL)PIPERAZIN-1-YL]ACETYL}-3-OXOPIPERAZIN-2-YL)ACETAMIDO]BENZOATE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 837.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 121.7±3.0 kJ/mol
Flash Point: 460.4±34.3 °C
Index of Refraction: 1.610
Molar Refractivity: 166.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 2.92
ACD/LogD (pH 5.5): 2.66
ACD/BCF (pH 5.5): 45.19
ACD/KOC (pH 5.5): 369.99
ACD/LogD (pH 7.4): 3.20
ACD/BCF (pH 7.4): 157.49
ACD/KOC (pH 7.4): 1289.51
Polar Surface Area: 111 Å2
Polarizability: 66.1±0.5 10-24cm3
Surface Tension: 54.0±3.0 dyne/cm
Molar Volume: 481.0±3.0 cm3

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