ChemSpider 2D Image | (1R,3S,5R)-2-{[3-Acetyl-5-(1,3-thiazol-2-ylmethoxy)-1H-indazol-1-yl]acetyl}-N-{[(1R)-2,2-dichlorocyclopropyl]methyl}-2-azabicyclo[3.1.0]hexane-3-carboxamide | C25H25Cl2N5O4S

(1R,3S,5R)-2-{[3-Acetyl-5-(1,3-thiazol-2-ylmethoxy)-1H-indazol-1-yl]acetyl}-N-{[(1R)-2,2-dichlorocyclopropyl]methyl}-2-azabicyclo[3.1.0]hexane-3-carboxamide

  • Molecular FormulaC25H25Cl2N5O4S
  • Average mass562.468 Da
  • Monoisotopic mass561.100403 Da
  • ChemSpider ID76796065

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,3S,5R)-2-{[3-Acetyl-5-(1,3-thiazol-2-ylmethoxy)-1H-indazol-1-yl]acetyl}-N-{[(1R)-2,2-dichlorcyclopropyl]methyl}-2-azabicyclo[3.1.0]hexan-3-carboxamid [German] [ACD/IUPAC Name]
(1R,3S,5R)-2-{[3-Acetyl-5-(1,3-thiazol-2-ylmethoxy)-1H-indazol-1-yl]acetyl}-N-{[(1R)-2,2-dichlorocyclopropyl]methyl}-2-azabicyclo[3.1.0]hexane-3-carboxamide [ACD/IUPAC Name]
(1R,3S,5R)-2-{2-[3-Acétyl-5-(1,3-thiazol-2-ylméthoxy)-1H-indazol-1-yl]acétyl}-N-{[(1R)-2,2-dichlorocyclopropyl]méthyl}-2-azabicyclo[3.1.0]hexane-3-carboxamide [French] [ACD/IUPAC Name]
2-Azabicyclo[3.1.0]hexane-3-carboxamide, 2-[2-[3-acetyl-5-(2-thiazolylmethoxy)-1H-indazol-1-yl]acetyl]-N-[[(1R)-2,2-dichlorocyclopropyl]methyl]-, (1R,3S,5R)- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 834.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 121.3±3.0 kJ/mol
Flash Point: 458.7±34.3 °C
Index of Refraction: 1.782
Molar Refractivity: 140.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 0.81
ACD/LogD (pH 5.5): 2.35
ACD/BCF (pH 5.5): 36.02
ACD/KOC (pH 5.5): 452.60
ACD/LogD (pH 7.4): 2.35
ACD/BCF (pH 7.4): 36.03
ACD/KOC (pH 7.4): 452.79
Polar Surface Area: 135 Å2
Polarizability: 55.8±0.5 10-24cm3
Surface Tension: 70.0±7.0 dyne/cm
Molar Volume: 335.0±7.0 cm3

Click to predict properties on the Chemicalize site


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