Found 361 results

Search term: MF = 'C_{18}H_{33}N_{3}O_{2}S'
ChemSpider 2D Image | N-{(3R,4S)-4-Isopropyl-1-[3-(methylsulfanyl)propyl]-3-pyrrolidinyl}-2-(2-oxo-1-piperidinyl)acetamide | C18H33N3O2S

N-{(3R,4S)-4-Isopropyl-1-[3-(methylsulfanyl)propyl]-3-pyrrolidinyl}-2-(2-oxo-1-piperidinyl)acetamide

  • Molecular FormulaC18H33N3O2S
  • Average mass355.539 Da
  • Monoisotopic mass355.229340 Da
  • ChemSpider ID29442365

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-Piperidineacetamide, N-[(3R,4S)-4-(1-methylethyl)-1-[3-(methylthio)propyl]-3-pyrrolidinyl]-2-oxo- [ACD/Index Name]
N-{(3R,4S)-4-Isopropyl-1-[3-(methylsulfanyl)propyl]-3-pyrrolidinyl}-2-(2-oxo-1-piperidinyl)acetamid [German] [ACD/IUPAC Name]
N-{(3R,4S)-4-Isopropyl-1-[3-(methylsulfanyl)propyl]-3-pyrrolidinyl}-2-(2-oxo-1-piperidinyl)acetamide [ACD/IUPAC Name]
N-{(3R,4S)-4-Isopropyl-1-[3-(méthylsulfanyl)propyl]-3-pyrrolidinyl}-2-(2-oxo-1-pipéridinyl)acétamide [French] [ACD/IUPAC Name]
N-{(3R*,4S*)-4-isopropyl-1-[3-(methylthio)propyl]-3-pyrrolidinyl}-2-(2-oxo-1-piperidinyl)acetamide

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

Density: 1.1±0.1 g/cm3
Boiling Point: 571.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.7±3.0 kJ/mol
Flash Point: 299.5±30.1 °C
Index of Refraction: 1.549
Molar Refractivity: 100.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.74
ACD/LogD (pH 5.5): -0.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.09
ACD/BCF (pH 7.4): 1.81
ACD/KOC (pH 7.4): 20.83
Polar Surface Area: 78 Å2
Polarizability: 40.0±0.5 10-24cm3
Surface Tension: 46.6±5.0 dyne/cm
Molar Volume: 317.5±5.0 cm3

Click to predict properties on the Chemicalize site


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