ChemSpider 2D Image | N-(6,7,8,9-Tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-ylmethyl)-2-propanesulfonamide | C10H19N5O2S

N-(6,7,8,9-Tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-ylmethyl)-2-propanesulfonamide

  • Molecular FormulaC10H19N5O2S
  • Average mass273.355 Da
  • Monoisotopic mass273.125946 Da
  • ChemSpider ID52602971

More details:

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

2-Propanesulfonamide, N-[(6,7,8,9-tetrahydro-5H-1,2,4-triazolo[4,3-d][1,4]diazepin-3-yl)methyl]- [ACD/Index Name]
N-(6,7,8,9-Tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-ylmethyl)-2-propanesulfonamide [ACD/IUPAC Name]
N-(6,7,8,9-Tétrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazépin-3-ylméthyl)-2-propanesulfonamide [French] [ACD/IUPAC Name]
N-(6,7,8,9-Tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-ylmethyl)-2-propansulfonamid [German] [ACD/IUPAC Name]
N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-ylmethyl)propane-2-sulfonamide

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

Density: 1.5±0.1 g/cm3
Boiling Point: 501.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.0±3.0 kJ/mol
Flash Point: 257.0±32.9 °C
Index of Refraction: 1.671
Molar Refractivity: 69.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -1.01
ACD/LogD (pH 5.5): -3.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 97 Å2
Polarizability: 27.4±0.5 10-24cm3
Surface Tension: 58.0±7.0 dyne/cm
Molar Volume: 184.8±7.0 cm3

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