ChemSpider 2D Image | BMS-354326 | C28H40N4O5

BMS-354326

  • Molecular FormulaC28H40N4O5
  • Average mass512.641 Da
  • Monoisotopic mass512.299866 Da
  • ChemSpider ID8567141

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(2S,3R)-4-Oxo-1-{[4-(6-phenylhexanoyl)-1-piperazinyl]carbonyl}-3-[2-(3-piperidinyl)ethyl]-2-azetidincarbonsäure [German] [ACD/IUPAC Name]
(2S,3R)-4-Oxo-1-{[4-(6-phenylhexanoyl)-1-piperazinyl]carbonyl}-3-[2-(3-piperidinyl)ethyl]-2-azetidinecarboxylic acid [ACD/IUPAC Name]
(2S,3R)-4-oxo-1-{[4-(6-phenylhexanoyl)piperazin-1-yl]carbonyl}-3-[2-(piperidin-3-yl)ethyl]azetidine-2-carboxylic acid
2-Azetidinecarboxylic acid, 4-oxo-1-[[4-(1-oxo-6-phenylhexyl)-1-piperazinyl]carbonyl]-3-[2-(3-piperidinyl)ethyl]-, (2S,3R)- [ACD/Index Name]
708258-16-6 [RN]
Acide (2S,3R)-4-oxo-1-{[4-(6-phénylhexanoyl)-1-pipérazinyl]carbonyl}-3-[2-(3-pipéridinyl)éthyl]-2-azétidinecarboxylique [French] [ACD/IUPAC Name]
BMS-354326
T12M854Z97
UNII:T12M854Z97
(2S,3R)-4-oxo-1-[4-(6-phenylhexanoyl)piperazine-1-carbonyl]-3-(2-piperidin-3-ylethyl)azetidine-2-carboxylic acid
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 724.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.0±3.0 kJ/mol
Flash Point: 391.6±35.7 °C
Index of Refraction: 1.569
Molar Refractivity: 137.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 0.85
ACD/LogD (pH 5.5): -0.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.62
ACD/LogD (pH 7.4): -0.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.63
Polar Surface Area: 110 Å2
Polarizability: 54.6±0.5 10-24cm3
Surface Tension: 53.1±3.0 dyne/cm
Molar Volume: 420.7±3.0 cm3

Click to predict properties on the Chemicalize site


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