ChemSpider 2D Image | AZD8165 | C23H21ClFN7O4

AZD8165

  • Molecular FormulaC23H21ClFN7O4
  • Average mass513.909 Da
  • Monoisotopic mass513.132751 Da
  • ChemSpider ID34980772

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(5S)-N-[5-Chlor-2-(1H-tetrazol-1-yl)benzyl]-1-[(2R)-2-(4-fluorphenyl)-2-(propionyloxy)acetyl]-4,5-dihydro-1H-pyrazol-5-carboximidsäure [German] [ACD/IUPAC Name]
(5S)-N-[5-Chloro-2-(1H-tetrazol-1-yl)benzyl]-1-[(2R)-2-(4-fluorophenyl)-2-(propionyloxy)acetyl]-4,5-dihydro-1H-pyrazole-5-carboximidic acid [ACD/IUPAC Name]
1201686-72-7 [RN]
1H-Pyrazole-5-carboximidic acid, N-[[5-chloro-2-(1H-tetrazol-1-yl)phenyl]methyl]-1-[(2R)-2-(4-fluorophenyl)-2-(1-oxopropoxy)acetyl]-4,5-dihydro-, (5S)- [ACD/Index Name]
7WO8I5IY24
Acide (5S)-N-[5-chloro-2-(1H-tétrazol-1-yl)benzyl]-1-[(2R)-2-(4-fluorophényl)-2-(propionyloxy)acétyl]-4,5-dihydro-1H-pyrazole-5-carboximidique [French] [ACD/IUPAC Name]
AZD8165
(1R)-2-[(5S)-5-({[5-chloro-2-(1H-1,2,3,4-tetrazol-1-yl)phenyl]methyl}carbamoyl)-4,5-dihydro-1H-pyrazol-1-yl]-1-(4-fluorophenyl)-2-oxoethyl propanoate
[(1R)-2-[(3S)-3-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylcarbamoyl]-3,4-dihydropyrazol-2-yl]-1-(4-fluorophenyl)-2-oxoethyl] propanoate
1H-Pyrazole-5-carboxamide, N-((5-chloro-2-(1H-tetrazol-1-yl)phenyl)methyl)-1-((2R)-2-(4-fluorophenyl)-2-(1-oxopropoxy)acetyl)-4,5-dihydro-, (5S)-
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 706.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.6±3.0 kJ/mol
Flash Point: 381.2±35.7 °C
Index of Refraction: 1.681
Molar Refractivity: 129.8±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 2.19
ACD/LogD (pH 5.5): 1.33
ACD/BCF (pH 5.5): 4.57
ACD/KOC (pH 5.5): 73.84
ACD/LogD (pH 7.4): 1.31
ACD/BCF (pH 7.4): 4.36
ACD/KOC (pH 7.4): 70.38
Polar Surface Area: 135 Å2
Polarizability: 51.4±0.5 10-24cm3
Surface Tension: 58.3±7.0 dyne/cm
Molar Volume: 343.1±7.0 cm3

Click to predict properties on the Chemicalize site


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