Found 361 results

Search term: MF = 'C_{18}H_{33}N_{3}O_{2}S'
ChemSpider 2D Image | N-[(2S)-1-(4-Cyclohexyl-1,4-diazepan-1-yl)-4-(methylsulfanyl)-1-oxo-2-butanyl]acetamide | C18H33N3O2S

N-[(2S)-1-(4-Cyclohexyl-1,4-diazepan-1-yl)-4-(methylsulfanyl)-1-oxo-2-butanyl]acetamide

  • Molecular FormulaC18H33N3O2S
  • Average mass355.539 Da
  • Monoisotopic mass355.229340 Da
  • ChemSpider ID58844096

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Acetamide, N-[(1S)-1-[(4-cyclohexylhexahydro-1H-1,4-diazepin-1-yl)carbonyl]-3-(methylthio)propyl]- [ACD/Index Name]
N-[(2S)-1-(4-Cyclohexyl-1,4-diazepan-1-yl)-4-(methylsulfanyl)-1-oxo-2-butanyl]acetamid [German] [ACD/IUPAC Name]
N-[(2S)-1-(4-Cyclohexyl-1,4-diazepan-1-yl)-4-(methylsulfanyl)-1-oxo-2-butanyl]acetamide [ACD/IUPAC Name]
N-[(2S)-1-(4-Cyclohexyl-1,4-diazépan-1-yl)-4-(méthylsulfanyl)-1-oxo-2-butanyl]acétamide [French] [ACD/IUPAC Name]
N-[(1S)-1-[(4-cyclohexyl-1,4-diazepan-1-yl)carbonyl]-3-(methylthio)propyl]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: 576.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.4±3.0 kJ/mol
Flash Point: 302.7±30.1 °C
Index of Refraction: 1.536
Molar Refractivity: 99.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.55
ACD/LogD (pH 5.5): -0.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.82
ACD/BCF (pH 7.4): 1.05
ACD/KOC (pH 7.4): 13.14
Polar Surface Area: 78 Å2
Polarizability: 39.6±0.5 10-24cm3
Surface Tension: 45.3±3.0 dyne/cm
Molar Volume: 320.5±3.0 cm3

Click to predict properties on the Chemicalize site


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