ChemSpider 2D Image | 2-(5-Amino-1H-tetrazol-1-yl)-1-(4-{[1-(methoxymethyl)cyclobutyl]carbonyl}-1,4-diazepan-1-yl)ethanone | C15H25N7O3

2-(5-Amino-1H-tetrazol-1-yl)-1-(4-{[1-(methoxymethyl)cyclobutyl]carbonyl}-1,4-diazepan-1-yl)ethanone

  • Molecular FormulaC15H25N7O3
  • Average mass351.404 Da
  • Monoisotopic mass351.201874 Da
  • ChemSpider ID71268524

More details:

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

2-(5-Amino-1H-tetrazol-1-yl)-1-(4-{[1-(methoxymethyl)cyclobutyl]carbonyl}-1,4-diazepan-1-yl)ethanon [German] [ACD/IUPAC Name]
2-(5-Amino-1H-tetrazol-1-yl)-1-(4-{[1-(methoxymethyl)cyclobutyl]carbonyl}-1,4-diazepan-1-yl)ethanone [ACD/IUPAC Name]
2-(5-Amino-1H-tétrazol-1-yl)-1-(4-{[1-(méthoxyméthyl)cyclobutyl]carbonyl}-1,4-diazépan-1-yl)éthanone [French] [ACD/IUPAC Name]
Ethanone, 2-(5-amino-1H-tetrazol-1-yl)-1-[hexahydro-4-[[1-(methoxymethyl)cyclobutyl]carbonyl]-1H-1,4-diazepin-1-yl]- [ACD/Index Name]
1-[2-(4-{[1-(methoxymethyl)cyclobutyl]carbonyl}-1,4-diazepan-1-yl)-2-oxoethyl]-1H-tetrazol-5-amine

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

Density: 1.5±0.1 g/cm3
Boiling Point: 624.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.4±3.0 kJ/mol
Flash Point: 331.2±34.3 °C
Index of Refraction: 1.687
Molar Refractivity: 90.4±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -1.39
ACD/LogD (pH 5.5): -0.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.86
ACD/LogD (pH 7.4): -0.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.86
Polar Surface Area: 119 Å2
Polarizability: 35.8±0.5 10-24cm3
Surface Tension: 65.7±7.0 dyne/cm
Molar Volume: 237.4±7.0 cm3

Click to predict properties on the Chemicalize site


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