Found 86 results

Search term: MF = 'C_{16}H_{18}N_{8}O_{2}S'
ChemSpider 2D Image | 1-(4-{[3-(1H-Tetrazol-1-yl)-1H-pyrazol-4-yl]carbonyl}-1,4-diazepan-1-yl)-2-(3-thienyl)ethanone | C16H18N8O2S

1-(4-{[3-(1H-Tetrazol-1-yl)-1H-pyrazol-4-yl]carbonyl}-1,4-diazepan-1-yl)-2-(3-thienyl)ethanone

  • Molecular FormulaC16H18N8O2S
  • Average mass386.431 Da
  • Monoisotopic mass386.127350 Da
  • ChemSpider ID71268890

More details:

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

1-(4-{[3-(1H-Tetrazol-1-yl)-1H-pyrazol-4-yl]carbonyl}-1,4-diazepan-1-yl)-2-(3-thienyl)ethanon [German] [ACD/IUPAC Name]
1-(4-{[3-(1H-Tetrazol-1-yl)-1H-pyrazol-4-yl]carbonyl}-1,4-diazepan-1-yl)-2-(3-thienyl)ethanone [ACD/IUPAC Name]
1-(4-{[3-(1H-Tétrazol-1-yl)-1H-pyrazol-4-yl]carbonyl}-1,4-diazépan-1-yl)-2-(3-thiényl)éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[hexahydro-4-[[3-(1H-tetrazol-1-yl)-1H-pyrazol-4-yl]carbonyl]-1H-1,4-diazepin-1-yl]-2-(3-thienyl)- [ACD/Index Name]
1-{[3-(1H-tetrazol-1-yl)-1H-pyrazol-4-yl]carbonyl}-4-(3-thienylacetyl)-1,4-diazepane

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

Density: 1.6±0.1 g/cm3
Boiling Point: 758.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 110.5±3.0 kJ/mol
Flash Point: 412.4±35.7 °C
Index of Refraction: 1.797
Molar Refractivity: 102.7±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -1.10
ACD/LogD (pH 5.5): -0.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.00
ACD/LogD (pH 7.4): -0.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.97
Polar Surface Area: 141 Å2
Polarizability: 40.7±0.5 10-24cm3
Surface Tension: 77.4±7.0 dyne/cm
Molar Volume: 241.0±7.0 cm3

Click to predict properties on the Chemicalize site


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