ChemSpider 2D Image | 3-{3-Cyclopropyl-5-[(2-{ethyl[2-(isopropylamino)-2-oxoethyl]amino}-2-oxoethyl)sulfanyl]-1,2,4-triazolidin-4-yl}propanamide | C17H32N6O3S

3-{3-Cyclopropyl-5-[(2-{ethyl[2-(isopropylamino)-2-oxoethyl]amino}-2-oxoethyl)sulfanyl]-1,2,4-triazolidin-4-yl}propanamide

  • Molecular FormulaC17H32N6O3S
  • Average mass400.539 Da
  • Monoisotopic mass400.225647 Da
  • ChemSpider ID110216960

More details:

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

3-{3-Cyclopropyl-5-[(2-{ethyl[2-(isopropylamino)-2-oxoethyl]amino}-2-oxoethyl)sulfanyl]-1,2,4-triazolidin-4-yl}propanamid [German] [ACD/IUPAC Name]
3-{3-Cyclopropyl-5-[(2-{ethyl[2-(isopropylamino)-2-oxoethyl]amino}-2-oxoethyl)sulfanyl]-1,2,4-triazolidin-4-yl}propanamide [ACD/IUPAC Name]
3-{3-Cyclopropyl-5-[(2-{éthyl[2-(isopropylamino)-2-oxoéthyl]amino}-2-oxoéthyl)sulfanyl]-1,2,4-triazolidin-4-yl}propanamide [French] [ACD/IUPAC Name]
Propanamide, 3-[3-cyclopropyl-5-[[2-[ethyl[2-[(1-methylethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]thio]-1,2,4-triazolidin-4-yl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 671.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.6±3.0 kJ/mol
Flash Point: 359.6±31.5 °C
Index of Refraction: 1.591
Molar Refractivity: 107.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: -0.81
ACD/LogD (pH 5.5): -2.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.75
Polar Surface Area: 145 Å2
Polarizability: 42.5±0.5 10-24cm3
Surface Tension: 58.9±5.0 dyne/cm
Molar Volume: 317.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement