ChemSpider 2D Image | 1-{[5-(5-CHLORO-2-THIENYL)ISOXAZOL-3-YL]METHYL}-3-CYANO-N-(1-ISOPROPYLPIPERIDIN-4-YL)-7-METHYL-1H-INDOLE-2-CARBOXAMIDE | C27H28ClN5O2S

1-{[5-(5-CHLORO-2-THIENYL)ISOXAZOL-3-YL]METHYL}-3-CYANO-N-(1-ISOPROPYLPIPERIDIN-4-YL)-7-METHYL-1H-INDOLE-2-CARBOXAMIDE

  • Molecular FormulaC27H28ClN5O2S
  • Average mass522.062 Da
  • Monoisotopic mass521.165222 Da
  • ChemSpider ID5022665

More details:

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

1-{[5-(5-Chlor-2-thienyl)-1,2-oxazol-3-yl]methyl}-3-cyan-N-(1-isopropyl-4-piperidinyl)-7-methyl-1H-indol-2-carboxamid [German] [ACD/IUPAC Name]
1-{[5-(5-Chloro-2-thienyl)-1,2-oxazol-3-yl]methyl}-3-cyano-N-(1-isopropyl-4-piperidinyl)-7-methyl-1H-indole-2-carboxamide [ACD/IUPAC Name]
1-{[5-(5-Chloro-2-thiényl)-1,2-oxazol-3-yl]méthyl}-3-cyano-N-(1-isopropyl-4-pipéridinyl)-7-méthyl-1H-indole-2-carboxamide [French] [ACD/IUPAC Name]
1-{[5-(5-CHLORO-2-THIENYL)ISOXAZOL-3-YL]METHYL}-3-CYANO-N-(1-ISOPROPYLPIPERIDIN-4-YL)-7-METHYL-1H-INDOLE-2-CARBOXAMIDE
1H-Indole-2-carboxamide, 1-[[5-(5-chloro-2-thienyl)-3-isoxazolyl]methyl]-3-cyano-7-methyl-N-[1-(1-methylethyl)-4-piperidinyl]- [ACD/Index Name]
1-[5-(5-CHLORO-THIOPHEN-2-YL)-ISOXAZOL-3-YLMETHYL]-3-CYANO-7-METHYL-1H-INDOLE-2-CARBOXYLIC ACID (1-ISOPROPYL-PIPERIDIN-4-YL)-AMIDE
2-Carboxyindole Scaffold 21
IIB

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

Density: 1.4±0.1 g/cm3
Boiling Point: 749.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.2±3.0 kJ/mol
Flash Point: 406.9±32.9 °C
Index of Refraction: 1.691
Molar Refractivity: 144.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.82
ACD/LogD (pH 5.5): 1.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.68
ACD/LogD (pH 7.4): 2.12
ACD/BCF (pH 7.4): 7.02
ACD/KOC (pH 7.4): 32.92
Polar Surface Area: 115 Å2
Polarizability: 57.2±0.5 10-24cm3
Surface Tension: 53.3±7.0 dyne/cm
Molar Volume: 376.9±7.0 cm3

Click to predict properties on the Chemicalize site


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