ChemSpider 2D Image | Ethyl 7-(3,4-difluorophenyl)-5-propyl-1,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate | C16H17F2N5O2

Ethyl 7-(3,4-difluorophenyl)-5-propyl-1,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate

  • Molecular FormulaC16H17F2N5O2
  • Average mass349.335 Da
  • Monoisotopic mass349.135040 Da
  • ChemSpider ID28987662

More details:

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

7-(3,4-Difluorophényl)-5-propyl-1,7-dihydrotétrazolo[1,5-a]pyrimidine-6-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 7-(3,4-difluorophenyl)-5-propyl-1,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate [ACD/IUPAC Name]
Ethyl-7-(3,4-difluorphenyl)-5-propyl-1,7-dihydrotetrazolo[1,5-a]pyrimidin-6-carboxylat [German] [ACD/IUPAC Name]
Tetrazolo[1,5-a]pyrimidine-6-carboxylic acid, 7-(3,4-difluorophenyl)-4,7-dihydro-5-propyl-, ethyl ester [ACD/Index Name]
7-(3,4-Difluoro-phenyl)-5-propyl-4,7-dihydro-tetrazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester

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

Density: 1.4±0.1 g/cm3
Boiling Point: 471.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.4±3.0 kJ/mol
Flash Point: 238.7±31.5 °C
Index of Refraction: 1.633
Molar Refractivity: 86.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.50
ACD/LogD (pH 5.5): 3.00
ACD/BCF (pH 5.5): 112.78
ACD/KOC (pH 5.5): 1024.67
ACD/LogD (pH 7.4): 3.00
ACD/BCF (pH 7.4): 112.78
ACD/KOC (pH 7.4): 1024.69
Polar Surface Area: 82 Å2
Polarizability: 34.3±0.5 10-24cm3
Surface Tension: 46.2±7.0 dyne/cm
Molar Volume: 242.1±7.0 cm3

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