ChemSpider 2D Image | (3S,4R)-1-[(3-Isopropyl-1,2,4-thiadiazol-5-yl)methyl]-N,N-dimethyl-4-(1H-1,2,3-triazol-1-yl)-3-pyrrolidinamine | C14H23N7S

(3S,4R)-1-[(3-Isopropyl-1,2,4-thiadiazol-5-yl)methyl]-N,N-dimethyl-4-(1H-1,2,3-triazol-1-yl)-3-pyrrolidinamine

  • Molecular FormulaC14H23N7S
  • Average mass321.444 Da
  • Monoisotopic mass321.173553 Da
  • ChemSpider ID67933944
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(3S,4R)-1-[(3-Isopropyl-1,2,4-thiadiazol-5-yl)methyl]-N,N-dimethyl-4-(1H-1,2,3-triazol-1-yl)-3-pyrrolidinamin [German] [ACD/IUPAC Name]
(3S,4R)-1-[(3-Isopropyl-1,2,4-thiadiazol-5-yl)methyl]-N,N-dimethyl-4-(1H-1,2,3-triazol-1-yl)-3-pyrrolidinamine [ACD/IUPAC Name]
(3S,4R)-1-[(3-Isopropyl-1,2,4-thiadiazol-5-yl)méthyl]-N,N-diméthyl-4-(1H-1,2,3-triazol-1-yl)-3-pyrrolidinamine [French] [ACD/IUPAC Name]
3-Pyrrolidinamine, N,N-dimethyl-1-[[3-(1-methylethyl)-1,2,4-thiadiazol-5-yl]methyl]-4-(1H-1,2,3-triazol-1-yl)-, (3S,4R)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 484.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.0±3.0 kJ/mol
Flash Point: 246.7±31.5 °C
Index of Refraction: 1.699
Molar Refractivity: 90.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.00
ACD/LogD (pH 5.5): -1.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.57
ACD/BCF (pH 7.4): 1.28
ACD/KOC (pH 7.4): 31.88
Polar Surface Area: 91 Å2
Polarizability: 35.9±0.5 10-24cm3
Surface Tension: 52.3±7.0 dyne/cm
Molar Volume: 234.7±7.0 cm3

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