ChemSpider 2D Image | NVP-BBT594 | C28H30F3N7O3

NVP-BBT594

  • Molecular FormulaC28H30F3N7O3
  • Average mass569.578 Da
  • Monoisotopic mass569.236206 Da
  • ChemSpider ID34980928

More details:

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

1H-Indole-1-carboximidic acid, 2,3-dihydro-5-[[6-[[(1E)-1-hydroxyethylidene]amino]-4-pyrimidinyl]oxy]-N-[4-[(4-methyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl]- [ACD/Index Name]
5-({6-[(E)-(1-Hydroxyethyliden)amino]-4-pyrimidinyl}oxy)-N-{4-[(4-methyl-1-piperazinyl)methyl]-3-(trifluormethyl)phenyl}-1-indolincarboximidsäure [German] [ACD/IUPAC Name]
5-({6-[(E)-(1-Hydroxyethylidene)amino]-4-pyrimidinyl}oxy)-N-{4-[(4-methyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl}-1-indolinecarboximidic acid [ACD/IUPAC Name]
5-[(6-acetamidopyrimidin-4-yl)oxy]-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-2,3-dihydro-1H-indole-1-carboxamide
882405-89-2 [RN]
Acide 5-({6-[(E)-(1-hydroxyéthylidène)amino]-4-pyrimidinyl}oxy)-N-{4-[(4-méthyl-1-pipérazinyl)méthyl]-3-(trifluorométhyl)phényl}-1-indolinecarboximidique [French] [ACD/IUPAC Name]
NVP-BBT594
1H-Indole-1-carboxamide,5-[[6-(acetylamino)-4-pyrimidinyl]oxy]-2,3-dihydro-N-[4-[(4-methyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl]-
3,7-Dihydroxy-5-Cholanicacid
5-(6-acetamidopyrimidin-4-yl)oxy-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 723.9±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: 1.640
Molar Refractivity: 145.8±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 3.28
ACD/LogD (pH 5.5): -0.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 110 Å2
Polarizability: 57.8±0.5 10-24cm3
Surface Tension: 49.6±7.0 dyne/cm
Molar Volume: 404.5±7.0 cm3

Click to predict properties on the Chemicalize site


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