ChemSpider 2D Image | (1S)-1-{5-[4-(4-{(3-Chloro-2-pyridinyl)[(3R)-3-piperidinyl]carbamoyl}-2-fluorophenyl)-1-methyl-1H-pyrazol-5-yl]-1H-tetrazol-1-yl}ethyl ethyl carbonate | C27H29ClFN9O4

(1S)-1-{5-[4-(4-{(3-Chloro-2-pyridinyl)[(3R)-3-piperidinyl]carbamoyl}-2-fluorophenyl)-1-methyl-1H-pyrazol-5-yl]-1H-tetrazol-1-yl}ethyl ethyl carbonate

  • Molecular FormulaC27H29ClFN9O4
  • Average mass598.029 Da
  • Monoisotopic mass597.201477 Da
  • ChemSpider ID75531280

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S)-1-{5-[4-(4-{(3-Chlor-2-pyridinyl)[(3R)-3-piperidinyl]carbamoyl}-2-fluorphenyl)-1-methyl-1H-pyrazol-5-yl]-1H-tetrazol-1-yl}ethyl-ethylcarbonat [German] [ACD/IUPAC Name]
(1S)-1-{5-[4-(4-{(3-Chloro-2-pyridinyl)[(3R)-3-piperidinyl]carbamoyl}-2-fluorophenyl)-1-methyl-1H-pyrazol-5-yl]-1H-tetrazol-1-yl}ethyl ethyl carbonate [ACD/IUPAC Name]
Carbonate de (1S)-1-{5-[4-(4-{(3-chloro-2-pyridinyl)[(3R)-3-pipéridinyl]carbamoyl}-2-fluorophényl)-1-méthyl-1H-pyrazol-5-yl]-1H-tétrazol-1-yl}éthyle et d'éthyle [French] [ACD/IUPAC Name]
Carbonic acid, (1S)-1-[5-[4-[4-[[(3-chloro-2-pyridinyl)-(3R)-3-piperidinylamino]carbonyl]-2-fluorophenyl]-1-methyl-1H-pyrazol-5-yl]-1H-tetrazol-1-yl]ethyl ethyl ester [ACD/Index Name]
1900686-46-5 [RN]
MDK6465
PF-06815345

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

Density: 1.5±0.1 g/cm3
Boiling Point: 775.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 112.9±3.0 kJ/mol
Flash Point: 422.7±35.7 °C
Index of Refraction: 1.686
Molar Refractivity: 152.8±0.5 cm3
#H bond acceptors: 13
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 2.13
ACD/LogD (pH 5.5): -0.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.89
ACD/BCF (pH 7.4): 1.31
ACD/KOC (pH 7.4): 17.07
Polar Surface Area: 142 Å2
Polarizability: 60.6±0.5 10-24cm3
Surface Tension: 56.3±7.0 dyne/cm
Molar Volume: 401.5±7.0 cm3

Click to predict properties on the Chemicalize site


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