ChemSpider 2D Image | Timcodar | C43H45ClN4O6

Timcodar

  • Molecular FormulaC43H45ClN4O6
  • Average mass749.294 Da
  • Monoisotopic mass748.302734 Da
  • ChemSpider ID7987419

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

179033-51-3 [RN]
Benzenepropanamide, 4-chloro-α-[[1,2-dioxo-2-(3,4,5-trimethoxyphenyl)ethyl]methylamino]-N-(phenylmethyl)-N-[3-(4-pyridinyl)-1-[2-(4-pyridinyl)ethyl]propyl]-, (αS)- [ACD/Index Name]
N-Benzyl-4-chlor-N-[1,5-di(4-pyridinyl)-3-pentanyl]-Nα-methyl-Nα-[oxo(3,4,5-trimethoxyphenyl)acetyl]-L-phenylalaninamid [German] [ACD/IUPAC Name]
N-Benzyl-4-chloro-N-[1,5-di(4-pyridinyl)-3-pentanyl]-Nα-méthyl-Nα-[2-oxo-2-(3,4,5-triméthoxyphényl)acétyl]-L-phénylalaninamide [French] [ACD/IUPAC Name]
N-Benzyl-4-chloro-N-[1,5-di(4-pyridinyl)-3-pentanyl]-Nα-methyl-Nα-[oxo(3,4,5-trimethoxyphenyl)acetyl]-L-phenylalaninamide [ACD/IUPAC Name]
Timcodar [INN]
Timcodar [French] [INN]
Timcodar [Spanish] [INN]
Timcodarum [Latin] [INN]
U141W322WZ
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

7807 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 878.7±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 127.7±3.0 kJ/mol
Flash Point: 485.2±37.1 °C
Index of Refraction: 1.603
Molar Refractivity: 209.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 6.82
ACD/LogD (pH 5.5): 5.10
ACD/BCF (pH 5.5): 2363.11
ACD/KOC (pH 5.5): 4295.83
ACD/LogD (pH 7.4): 6.21
ACD/BCF (pH 7.4): 30303.88
ACD/KOC (pH 7.4): 55088.59
Polar Surface Area: 111 Å2
Polarizability: 82.9±0.5 10-24cm3
Surface Tension: 51.3±3.0 dyne/cm
Molar Volume: 608.7±3.0 cm3

Click to predict properties on the Chemicalize site


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