ChemSpider 2D Image | (1R,5R)-6-[(4-Isopropyl-1,2,3-thiadiazol-5-yl)methyl]-3-(2-pyrimidinyl)-3,6-diazabicyclo[3.2.2]nonane | C17H24N6S

(1R,5R)-6-[(4-Isopropyl-1,2,3-thiadiazol-5-yl)methyl]-3-(2-pyrimidinyl)-3,6-diazabicyclo[3.2.2]nonane

  • Molecular FormulaC17H24N6S
  • Average mass344.478 Da
  • Monoisotopic mass344.178314 Da
  • ChemSpider ID29714804

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,5R)-6-[(4-Isopropyl-1,2,3-thiadiazol-5-yl)methyl]-3-(2-pyrimidinyl)-3,6-diazabicyclo[3.2.2]nonan [German] [ACD/IUPAC Name]
(1R,5R)-6-[(4-Isopropyl-1,2,3-thiadiazol-5-yl)methyl]-3-(2-pyrimidinyl)-3,6-diazabicyclo[3.2.2]nonane [ACD/IUPAC Name]
(1R,5R)-6-[(4-Isopropyl-1,2,3-thiadiazol-5-yl)méthyl]-3-(2-pyrimidinyl)-3,6-diazabicyclo[3.2.2]nonane [French] [ACD/IUPAC Name]
3,6-Diazabicyclo[3.2.2]nonane, 6-[[4-(1-methylethyl)-1,2,3-thiadiazol-5-yl]methyl]-3-(2-pyrimidinyl)-, (1R,5R)- [ACD/Index Name]
(1R*,5R*)-6-[(4-isopropyl-1,2,3-thiadiazol-5-yl)methyl]-3-(2-pyrimidinyl)-3,6-diazabicyclo[3.2.2]nonane

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

Density: 1.2±0.1 g/cm3
Boiling Point: 491.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.8±3.0 kJ/mol
Flash Point: 251.0±31.5 °C
Index of Refraction: 1.608
Molar Refractivity: 96.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.16
ACD/LogD (pH 5.5): 1.86
ACD/BCF (pH 5.5): 9.76
ACD/KOC (pH 5.5): 104.20
ACD/LogD (pH 7.4): 2.65
ACD/BCF (pH 7.4): 60.14
ACD/KOC (pH 7.4): 642.08
Polar Surface Area: 86 Å2
Polarizability: 38.1±0.5 10-24cm3
Surface Tension: 59.4±3.0 dyne/cm
Molar Volume: 277.7±3.0 cm3

Click to predict properties on the Chemicalize site


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