ChemSpider 2D Image | Balamapimod | C30H32ClN7OS

Balamapimod

  • Molecular FormulaC30H32ClN7OS
  • Average mass574.139 Da
  • Monoisotopic mass573.207764 Da
  • ChemSpider ID9653509

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

3-Quinolinecarbonitrile, 4-[[3-chloro-4-[(1-methyl-1H-imidazol-2-yl)thio]phenyl]amino]-6-methoxy-7-[4-(1-pyrrolidinyl)-1-piperidinyl]- [ACD/Index Name]
4-({3-Chlor-4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]phenyl}amino)-6-methoxy-7-[4-(1-pyrrolidinyl)-1-piperidinyl]-3-chinolincarbonitril [German] [ACD/IUPAC Name]
4-({3-Chloro-4-[(1-méthyl-1H-imidazol-2-yl)sulfanyl]phényl}amino)-6-méthoxy-7-[4-(1-pyrrolidinyl)-1-pipéridinyl]-3-quinoléinecarbonitrile [French] [ACD/IUPAC Name]
4-({3-Chloro-4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]phenyl}amino)-6-methoxy-7-[4-(1-pyrrolidinyl)-1-piperidinyl]-3-quinolinecarbonitrile [ACD/IUPAC Name]
863029-99-6 [RN]
Balamapimod [USAN]
4-[[3-chloro-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]amino]-6-methoxy-7-(4-pyrrolidin-1-yl-1-piperidyl)quinoline-3-carbonitrile
4-[[3-chloro-4-(1-methylimidazol-2-yl)sulfanylphenyl]amino]-6-methoxy-7-(4-pyrrolidin-1-ylpiperidin-1-yl)quinoline-3-carbonitrile
4-[[3-chloro-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]amino]-6-methoxy-7-(4-pyrrolidin-1-ylpiperidin-1-yl)quinoline-3-carbonitrile
4-[[3-chloro-4-[(1-methyl-2-imidazolyl)thio]phenyl]amino]-6-methoxy-7-(4-1-pyrrolidinyl-1-piperidinyl)-3-quinolinecarbonitrile
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

MKI-833 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 755.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.1±3.0 kJ/mol
Flash Point: 410.8±35.7 °C
Index of Refraction: 1.707
Molar Refractivity: 161.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.49
ACD/LogD (pH 5.5): 1.58
ACD/BCF (pH 5.5): 1.07
ACD/KOC (pH 5.5): 2.84
ACD/LogD (pH 7.4): 3.03
ACD/BCF (pH 7.4): 30.22
ACD/KOC (pH 7.4): 80.14
Polar Surface Area: 108 Å2
Polarizability: 64.2±0.5 10-24cm3
Surface Tension: 55.7±7.0 dyne/cm
Molar Volume: 415.5±7.0 cm3

Click to predict properties on the Chemicalize site






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