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Search term: DMDJTLNTJHFQMG-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | N-{4-[6-Amino-5-cyano-2-({[6-(3-{4-[2-(diethylamino)ethyl]-1-piperazinyl}-3-oxopropyl)-2-pyridinyl]methyl}sulfanyl)-4-pyrimidinyl]phenyl}acetamide | C32H41N9O2S

N-{4-[6-Amino-5-cyano-2-({[6-(3-{4-[2-(diethylamino)ethyl]-1-piperazinyl}-3-oxopropyl)-2-pyridinyl]methyl}sulfanyl)-4-pyrimidinyl]phenyl}acetamide

  • Molecular FormulaC32H41N9O2S
  • Average mass615.792 Da
  • Monoisotopic mass615.310364 Da
  • ChemSpider ID9702149

More details:

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

Acetamide, N-[4-[6-amino-5-cyano-2-[[[6-[3-[4-[2-(diethylamino)ethyl]-1-piperazinyl]-3-oxopropyl]-2-pyridinyl]methyl]thio]-4-pyrimidinyl]phenyl]- [ACD/Index Name]
N-{4-[6-Amino-5-cyan-2-({[6-(3-{4-[2-(diethylamino)ethyl]-1-piperazinyl}-3-oxopropyl)-2-pyridinyl]methyl}sulfanyl)-4-pyrimidinyl]phenyl}acetamid [German] [ACD/IUPAC Name]
N-{4-[6-Amino-5-cyano-2-({[6-(3-{4-[2-(diethylamino)ethyl]-1-piperazinyl}-3-oxopropyl)-2-pyridinyl]methyl}sulfanyl)-4-pyrimidinyl]phenyl}acetamide [ACD/IUPAC Name]
N-{4-[6-Amino-5-cyano-2-({[6-(3-{4-[2-(diéthylamino)éthyl]-1-pipérazinyl}-3-oxopropyl)-2-pyridinyl]méthyl}sulfanyl)-4-pyrimidinyl]phényl}acétamide [French] [ACD/IUPAC 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: 887.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 129.0±3.0 kJ/mol
Flash Point: 490.7±34.3 °C
Index of Refraction: 1.653
Molar Refractivity: 173.3±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 3.90
ACD/LogD (pH 5.5): -0.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.23
Polar Surface Area: 170 Å2
Polarizability: 68.7±0.5 10-24cm3
Surface Tension: 74.4±5.0 dyne/cm
Molar Volume: 473.2±5.0 cm3

Click to predict properties on the Chemicalize site


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