ChemSpider 2D Image | N-Cyclopropyl-N~2~-{[(3R)-1,1-dioxidotetrahydro-3-thiophenyl]carbamoyl}-L-alloisoleucinamide | C14H25N3O4S

N-Cyclopropyl-N2-{[(3R)-1,1-dioxidotetrahydro-3-thiophenyl]carbamoyl}-L-alloisoleucinamide

  • Molecular FormulaC14H25N3O4S
  • Average mass331.431 Da
  • Monoisotopic mass331.156586 Da
  • ChemSpider ID62402914

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

N-Cyclopropyl-N2-{[(3R)-1,1-dioxidotetrahydro-3-thiophenyl]carbamoyl}-L-alloisoleucinamid [German] [ACD/IUPAC Name]
N-Cyclopropyl-N2-{[(3R)-1,1-dioxidotetrahydro-3-thiophenyl]carbamoyl}-L-alloisoleucinamide [ACD/IUPAC Name]
N-Cyclopropyl-N2-{[(3R)-1,1-dioxydotétrahydro-3-thiophényl]carbamoyl}-L-alloisoleucinamide [French] [ACD/IUPAC Name]
Pentanamide, N-cyclopropyl-3-methyl-2-[[[[(3R)-tetrahydro-1,1-dioxido-3-thienyl]amino]carbonyl]amino]-, (2S,3R)- [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: 679.2±54.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.7±3.0 kJ/mol
Flash Point: 364.6±31.2 °C
Index of Refraction: 1.547
Molar Refractivity: 82.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -1.13
ACD/LogD (pH 5.5): -0.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.00
ACD/LogD (pH 7.4): -0.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.00
Polar Surface Area: 113 Å2
Polarizability: 32.8±0.5 10-24cm3
Surface Tension: 51.3±5.0 dyne/cm
Molar Volume: 260.9±5.0 cm3

Click to predict properties on the Chemicalize site


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